USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot -94:sc= 1.23 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.135 X(o=0.14,f=-0.062) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.18) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.833 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00996 X(o=-0.01,f=-0.15) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 177:sc= 0 (180deg=-0.0123) USER MOD Single : A 41 THR OG1 : rot 41:sc= 0.0672 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.103) USER MOD Single : A 56 ASN : amide:sc= -0.043 X(o=-0.043,f=-0.26) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.313 X(o=0.31,f=-0.032) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0978 USER MOD Single : A 82 LYS NZ :NH3+ -103:sc= 0.00993 (180deg=-1.38) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -3.44 K(o=-3.4,f=-4.4) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.467 K(o=-0.47,f=-1.8) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -148:sc= 0.211 (180deg=0.00851) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 130:sc= 1.21 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.0523 K(o=-0.052,f=-0.9) USER MOD Single : A 114 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00918) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.760 37.930 -19.894 1.00 14.21 N ATOM 2 CA GLY A 1 -17.325 38.014 -20.088 1.00 34.21 C ATOM 3 C GLY A 1 -16.854 37.218 -21.289 1.00 64.21 C ATOM 4 O GLY A 1 -17.200 36.046 -21.440 1.00 53.22 O ATOM 0 H1 GLY A 1 -19.031 38.491 -19.061 1.00 14.21 H new ATOM 0 H2 GLY A 1 -19.246 38.302 -20.735 1.00 14.21 H new ATOM 0 H3 GLY A 1 -19.033 36.937 -19.747 1.00 14.21 H new ATOM 0 HA2 GLY A 1 -17.039 39.058 -20.214 1.00 34.21 H new ATOM 0 HA3 GLY A 1 -16.819 37.650 -19.194 1.00 34.21 H new ATOM 10 N SER A 2 -16.065 37.856 -22.148 1.00 23.30 N ATOM 11 CA SER A 2 -15.550 37.202 -23.345 1.00 2.24 C ATOM 12 C SER A 2 -14.024 37.208 -23.355 1.00 51.33 C ATOM 13 O SER A 2 -13.398 38.169 -23.800 1.00 51.24 O ATOM 14 CB SER A 2 -16.083 37.896 -24.600 1.00 24.24 C ATOM 15 OG SER A 2 -15.533 37.321 -25.773 1.00 31.41 O ATOM 0 H SER A 2 -15.769 38.826 -22.037 1.00 23.30 H new ATOM 0 HA SER A 2 -15.891 36.167 -23.338 1.00 2.24 H new ATOM 0 HB2 SER A 2 -17.170 37.819 -24.628 1.00 24.24 H new ATOM 0 HB3 SER A 2 -15.840 38.958 -24.563 1.00 24.24 H new ATOM 0 HG SER A 2 -15.890 37.781 -26.561 1.00 31.41 H new ATOM 21 N LYS A 3 -13.433 36.126 -22.860 1.00 22.32 N ATOM 22 CA LYS A 3 -11.979 36.003 -22.812 1.00 54.42 C ATOM 23 C LYS A 3 -11.531 34.641 -23.329 1.00 3.12 C ATOM 24 O LYS A 3 -10.759 34.552 -24.284 1.00 70.43 O ATOM 25 CB LYS A 3 -11.477 36.206 -21.381 1.00 75.53 C ATOM 26 CG LYS A 3 -9.990 36.503 -21.294 1.00 0.11 C ATOM 27 CD LYS A 3 -9.700 37.620 -20.305 1.00 41.40 C ATOM 28 CE LYS A 3 -9.878 37.151 -18.868 1.00 35.04 C ATOM 29 NZ LYS A 3 -10.865 37.988 -18.131 1.00 22.33 N ATOM 0 H LYS A 3 -13.937 35.322 -22.486 1.00 22.32 H new ATOM 0 HA LYS A 3 -11.553 36.774 -23.454 1.00 54.42 H new ATOM 0 HB2 LYS A 3 -12.030 37.027 -20.924 1.00 75.53 H new ATOM 0 HB3 LYS A 3 -11.695 35.311 -20.798 1.00 75.53 H new ATOM 0 HG2 LYS A 3 -9.455 35.602 -20.993 1.00 0.11 H new ATOM 0 HG3 LYS A 3 -9.616 36.782 -22.279 1.00 0.11 H new ATOM 0 HD2 LYS A 3 -8.681 37.979 -20.448 1.00 41.40 H new ATOM 0 HD3 LYS A 3 -10.365 38.462 -20.499 1.00 41.40 H new ATOM 0 HE2 LYS A 3 -10.207 36.112 -18.863 1.00 35.04 H new ATOM 0 HE3 LYS A 3 -8.918 37.184 -18.353 1.00 35.04 H new ATOM 0 HZ1 LYS A 3 -10.959 37.637 -17.156 1.00 22.33 H new ATOM 0 HZ2 LYS A 3 -10.539 38.975 -18.114 1.00 22.33 H new ATOM 0 HZ3 LYS A 3 -11.788 37.937 -18.607 1.00 22.33 H new ATOM 43 N ASN A 4 -12.023 33.581 -22.695 1.00 22.42 N ATOM 44 CA ASN A 4 -11.672 32.222 -23.094 1.00 70.53 C ATOM 45 C ASN A 4 -12.082 31.955 -24.539 1.00 73.25 C ATOM 46 O ASN A 4 -13.160 32.359 -24.974 1.00 51.12 O ATOM 47 CB ASN A 4 -12.344 31.207 -22.166 1.00 72.52 C ATOM 48 CG ASN A 4 -11.542 30.961 -20.903 1.00 43.13 C ATOM 49 OD1 ASN A 4 -11.801 31.564 -19.861 1.00 14.12 O ATOM 50 ND2 ASN A 4 -10.560 30.070 -20.989 1.00 52.51 N ATOM 0 H ASN A 4 -12.665 33.636 -21.904 1.00 22.42 H new ATOM 0 HA ASN A 4 -10.590 32.116 -23.017 1.00 70.53 H new ATOM 0 HB2 ASN A 4 -13.338 31.566 -21.898 1.00 72.52 H new ATOM 0 HB3 ASN A 4 -12.478 30.265 -22.698 1.00 72.52 H new ATOM 0 HD21 ASN A 4 -9.986 29.863 -20.171 1.00 52.51 H new ATOM 0 HD22 ASN A 4 -10.380 29.593 -21.873 1.00 52.51 H new ATOM 57 N LYS A 5 -11.215 31.273 -25.279 1.00 42.13 N ATOM 58 CA LYS A 5 -11.486 30.950 -26.674 1.00 43.01 C ATOM 59 C LYS A 5 -10.647 29.761 -27.131 1.00 43.14 C ATOM 60 O LYS A 5 -11.180 28.709 -27.481 1.00 41.41 O ATOM 61 CB LYS A 5 -11.200 32.162 -27.564 1.00 41.42 C ATOM 62 CG LYS A 5 -12.152 32.291 -28.740 1.00 1.32 C ATOM 63 CD LYS A 5 -13.475 32.911 -28.321 1.00 33.43 C ATOM 64 CE LYS A 5 -14.011 33.854 -29.388 1.00 31.25 C ATOM 65 NZ LYS A 5 -14.724 33.122 -30.470 1.00 22.11 N ATOM 0 H LYS A 5 -10.317 30.933 -24.935 1.00 42.13 H new ATOM 0 HA LYS A 5 -12.539 30.683 -26.761 1.00 43.01 H new ATOM 0 HB2 LYS A 5 -11.257 33.067 -26.960 1.00 41.42 H new ATOM 0 HB3 LYS A 5 -10.179 32.094 -27.940 1.00 41.42 H new ATOM 0 HG2 LYS A 5 -11.692 32.903 -29.516 1.00 1.32 H new ATOM 0 HG3 LYS A 5 -12.331 31.307 -29.174 1.00 1.32 H new ATOM 0 HD2 LYS A 5 -14.204 32.123 -28.131 1.00 33.43 H new ATOM 0 HD3 LYS A 5 -13.343 33.455 -27.386 1.00 33.43 H new ATOM 0 HE2 LYS A 5 -14.689 34.573 -28.929 1.00 31.25 H new ATOM 0 HE3 LYS A 5 -13.186 34.423 -29.817 1.00 31.25 H new ATOM 0 HZ1 LYS A 5 -15.073 33.801 -31.176 1.00 22.11 H new ATOM 0 HZ2 LYS A 5 -14.071 32.453 -30.926 1.00 22.11 H new ATOM 0 HZ3 LYS A 5 -15.527 32.600 -30.065 1.00 22.11 H new ATOM 79 N LYS A 6 -9.330 29.935 -27.122 1.00 5.21 N ATOM 80 CA LYS A 6 -8.414 28.876 -27.532 1.00 53.20 C ATOM 81 C LYS A 6 -7.296 28.697 -26.511 1.00 72.12 C ATOM 82 O LYS A 6 -6.782 29.672 -25.965 1.00 31.13 O ATOM 83 CB LYS A 6 -7.820 29.192 -28.906 1.00 2.43 C ATOM 84 CG LYS A 6 -6.896 30.396 -28.907 1.00 75.23 C ATOM 85 CD LYS A 6 -7.173 31.311 -30.089 1.00 23.10 C ATOM 86 CE LYS A 6 -6.282 32.542 -30.062 1.00 34.45 C ATOM 87 NZ LYS A 6 -6.269 33.248 -31.374 1.00 61.21 N ATOM 0 H LYS A 6 -8.872 30.800 -26.835 1.00 5.21 H new ATOM 0 HA LYS A 6 -8.978 27.945 -27.592 1.00 53.20 H new ATOM 0 HB2 LYS A 6 -7.269 28.322 -29.263 1.00 2.43 H new ATOM 0 HB3 LYS A 6 -8.632 29.367 -29.612 1.00 2.43 H new ATOM 0 HG2 LYS A 6 -7.021 30.952 -27.978 1.00 75.23 H new ATOM 0 HG3 LYS A 6 -5.860 30.060 -28.941 1.00 75.23 H new ATOM 0 HD2 LYS A 6 -7.012 30.765 -31.019 1.00 23.10 H new ATOM 0 HD3 LYS A 6 -8.219 31.617 -30.076 1.00 23.10 H new ATOM 0 HE2 LYS A 6 -6.629 33.224 -29.286 1.00 34.45 H new ATOM 0 HE3 LYS A 6 -5.266 32.249 -29.797 1.00 34.45 H new ATOM 0 HZ1 LYS A 6 -5.650 34.081 -31.314 1.00 61.21 H new ATOM 0 HZ2 LYS A 6 -5.914 32.605 -32.110 1.00 61.21 H new ATOM 0 HZ3 LYS A 6 -7.234 33.551 -31.615 1.00 61.21 H new ATOM 101 N GLU A 7 -6.924 27.446 -26.259 1.00 53.40 N ATOM 102 CA GLU A 7 -5.866 27.141 -25.304 1.00 41.12 C ATOM 103 C GLU A 7 -4.640 26.573 -26.013 1.00 22.31 C ATOM 104 O GLU A 7 -4.578 26.542 -27.242 1.00 21.42 O ATOM 105 CB GLU A 7 -6.366 26.149 -24.253 1.00 44.42 C ATOM 106 CG GLU A 7 -6.105 26.593 -22.823 1.00 33.51 C ATOM 107 CD GLU A 7 -5.894 25.425 -21.879 1.00 35.42 C ATOM 108 OE1 GLU A 7 -6.771 24.537 -21.829 1.00 51.42 O ATOM 109 OE2 GLU A 7 -4.852 25.398 -21.191 1.00 3.50 O ATOM 0 H GLU A 7 -7.340 26.627 -26.703 1.00 53.40 H new ATOM 0 HA GLU A 7 -5.581 28.069 -24.809 1.00 41.12 H new ATOM 0 HB2 GLU A 7 -7.437 25.999 -24.388 1.00 44.42 H new ATOM 0 HB3 GLU A 7 -5.886 25.185 -24.418 1.00 44.42 H new ATOM 0 HG2 GLU A 7 -5.226 27.237 -22.801 1.00 33.51 H new ATOM 0 HG3 GLU A 7 -6.946 27.191 -22.473 1.00 33.51 H new ATOM 116 N LYS A 8 -3.666 26.124 -25.230 1.00 22.52 N ATOM 117 CA LYS A 8 -2.440 25.556 -25.779 1.00 4.55 C ATOM 118 C LYS A 8 -1.661 24.803 -24.707 1.00 21.12 C ATOM 119 O LYS A 8 -0.989 25.410 -23.873 1.00 4.43 O ATOM 120 CB LYS A 8 -1.567 26.659 -26.380 1.00 21.20 C ATOM 121 CG LYS A 8 -0.296 26.142 -27.032 1.00 61.01 C ATOM 122 CD LYS A 8 -0.600 25.320 -28.273 1.00 12.32 C ATOM 123 CE LYS A 8 -0.221 26.067 -29.542 1.00 32.23 C ATOM 124 NZ LYS A 8 -1.276 27.033 -29.955 1.00 73.42 N ATOM 0 H LYS A 8 -3.702 26.142 -24.211 1.00 22.52 H new ATOM 0 HA LYS A 8 -2.716 24.852 -26.564 1.00 4.55 H new ATOM 0 HB2 LYS A 8 -2.148 27.207 -27.121 1.00 21.20 H new ATOM 0 HB3 LYS A 8 -1.301 27.368 -25.596 1.00 21.20 H new ATOM 0 HG2 LYS A 8 0.345 26.982 -27.299 1.00 61.01 H new ATOM 0 HG3 LYS A 8 0.258 25.533 -26.318 1.00 61.01 H new ATOM 0 HD2 LYS A 8 -0.056 24.377 -28.228 1.00 12.32 H new ATOM 0 HD3 LYS A 8 -1.662 25.075 -28.297 1.00 12.32 H new ATOM 0 HE2 LYS A 8 0.717 26.600 -29.383 1.00 32.23 H new ATOM 0 HE3 LYS A 8 -0.049 25.352 -30.346 1.00 32.23 H new ATOM 0 HZ1 LYS A 8 -0.979 27.521 -30.824 1.00 73.42 H new ATOM 0 HZ2 LYS A 8 -2.165 26.522 -30.132 1.00 73.42 H new ATOM 0 HZ3 LYS A 8 -1.423 27.731 -29.198 1.00 73.42 H new ATOM 138 N ASN A 9 -1.752 23.476 -24.735 1.00 15.41 N ATOM 139 CA ASN A 9 -1.054 22.641 -23.766 1.00 52.12 C ATOM 140 C ASN A 9 0.417 22.487 -24.138 1.00 34.01 C ATOM 141 O ASN A 9 0.864 22.990 -25.171 1.00 41.42 O ATOM 142 CB ASN A 9 -1.715 21.264 -23.678 1.00 42.40 C ATOM 143 CG ASN A 9 -1.318 20.358 -24.829 1.00 62.25 C ATOM 144 OD1 ASN A 9 -1.843 20.475 -25.935 1.00 11.02 O ATOM 145 ND2 ASN A 9 -0.387 19.448 -24.569 1.00 23.32 N ATOM 0 H ASN A 9 -2.303 22.957 -25.419 1.00 15.41 H new ATOM 0 HA ASN A 9 -1.115 23.130 -22.794 1.00 52.12 H new ATOM 0 HB2 ASN A 9 -1.440 20.791 -22.735 1.00 42.40 H new ATOM 0 HB3 ASN A 9 -2.798 21.384 -23.670 1.00 42.40 H new ATOM 0 HD21 ASN A 9 -0.079 18.809 -25.302 1.00 23.32 H new ATOM 0 HD22 ASN A 9 0.021 19.388 -23.636 1.00 23.32 H new ATOM 152 N LYS A 10 1.168 21.791 -23.292 1.00 53.51 N ATOM 153 CA LYS A 10 2.588 21.570 -23.531 1.00 44.13 C ATOM 154 C LYS A 10 2.896 20.080 -23.643 1.00 4.43 C ATOM 155 O LYS A 10 2.079 19.239 -23.269 1.00 21.44 O ATOM 156 CB LYS A 10 3.419 22.189 -22.405 1.00 54.13 C ATOM 157 CG LYS A 10 4.745 22.764 -22.873 1.00 34.12 C ATOM 158 CD LYS A 10 4.753 24.282 -22.797 1.00 2.32 C ATOM 159 CE LYS A 10 5.769 24.883 -23.756 1.00 1.20 C ATOM 160 NZ LYS A 10 6.243 26.218 -23.298 1.00 40.32 N ATOM 0 H LYS A 10 0.815 21.369 -22.433 1.00 53.51 H new ATOM 0 HA LYS A 10 2.850 22.050 -24.474 1.00 44.13 H new ATOM 0 HB2 LYS A 10 2.838 22.979 -21.928 1.00 54.13 H new ATOM 0 HB3 LYS A 10 3.609 21.430 -21.646 1.00 54.13 H new ATOM 0 HG2 LYS A 10 5.553 22.364 -22.260 1.00 34.12 H new ATOM 0 HG3 LYS A 10 4.937 22.449 -23.899 1.00 34.12 H new ATOM 0 HD2 LYS A 10 3.760 24.664 -23.031 1.00 2.32 H new ATOM 0 HD3 LYS A 10 4.983 24.595 -21.779 1.00 2.32 H new ATOM 0 HE2 LYS A 10 6.620 24.209 -23.852 1.00 1.20 H new ATOM 0 HE3 LYS A 10 5.323 24.976 -24.746 1.00 1.20 H new ATOM 0 HZ1 LYS A 10 6.934 26.593 -23.979 1.00 40.32 H new ATOM 0 HZ2 LYS A 10 5.435 26.869 -23.230 1.00 40.32 H new ATOM 0 HZ3 LYS A 10 6.692 26.125 -22.364 1.00 40.32 H new ATOM 174 N GLY A 11 4.079 19.761 -24.158 1.00 14.03 N ATOM 175 CA GLY A 11 4.473 18.372 -24.308 1.00 13.12 C ATOM 176 C GLY A 11 5.970 18.175 -24.163 1.00 54.32 C ATOM 177 O GLY A 11 6.742 18.597 -25.022 1.00 60.23 O ATOM 0 H GLY A 11 4.772 20.439 -24.474 1.00 14.03 H new ATOM 0 HA2 GLY A 11 3.956 17.768 -23.562 1.00 13.12 H new ATOM 0 HA3 GLY A 11 4.155 18.011 -25.286 1.00 13.12 H new ATOM 181 N GLY A 12 6.377 17.533 -23.073 1.00 70.50 N ATOM 182 CA GLY A 12 7.790 17.295 -22.839 1.00 3.03 C ATOM 183 C GLY A 12 8.226 15.914 -23.286 1.00 32.43 C ATOM 184 O GLY A 12 8.553 15.058 -22.462 1.00 54.34 O ATOM 0 H GLY A 12 5.755 17.174 -22.349 1.00 70.50 H new ATOM 0 HA2 GLY A 12 8.375 18.047 -23.369 1.00 3.03 H new ATOM 0 HA3 GLY A 12 8.005 17.415 -21.777 1.00 3.03 H new ATOM 188 N LYS A 13 8.233 15.693 -24.597 1.00 61.14 N ATOM 189 CA LYS A 13 8.632 14.405 -25.154 1.00 75.23 C ATOM 190 C LYS A 13 10.109 14.412 -25.535 1.00 24.21 C ATOM 191 O LYS A 13 10.592 15.349 -26.169 1.00 30.10 O ATOM 192 CB LYS A 13 7.780 14.071 -26.380 1.00 3.10 C ATOM 193 CG LYS A 13 6.728 13.007 -26.118 1.00 54.04 C ATOM 194 CD LYS A 13 5.400 13.364 -26.766 1.00 30.55 C ATOM 195 CE LYS A 13 5.518 13.422 -28.281 1.00 11.22 C ATOM 196 NZ LYS A 13 5.437 14.819 -28.790 1.00 71.40 N ATOM 0 H LYS A 13 7.967 16.389 -25.293 1.00 61.14 H new ATOM 0 HA LYS A 13 8.475 13.642 -24.391 1.00 75.23 H new ATOM 0 HB2 LYS A 13 7.288 14.979 -26.728 1.00 3.10 H new ATOM 0 HB3 LYS A 13 8.433 13.734 -27.185 1.00 3.10 H new ATOM 0 HG2 LYS A 13 7.075 12.048 -26.503 1.00 54.04 H new ATOM 0 HG3 LYS A 13 6.589 12.888 -25.043 1.00 54.04 H new ATOM 0 HD2 LYS A 13 4.647 12.627 -26.486 1.00 30.55 H new ATOM 0 HD3 LYS A 13 5.057 14.328 -26.389 1.00 30.55 H new ATOM 0 HE2 LYS A 13 6.464 12.978 -28.589 1.00 11.22 H new ATOM 0 HE3 LYS A 13 4.724 12.825 -28.730 1.00 11.22 H new ATOM 0 HZ1 LYS A 13 5.215 14.806 -29.806 1.00 71.40 H new ATOM 0 HZ2 LYS A 13 4.690 15.332 -28.279 1.00 71.40 H new ATOM 0 HZ3 LYS A 13 6.349 15.296 -28.641 1.00 71.40 H new ATOM 210 N GLY A 14 10.821 13.359 -25.144 1.00 62.31 N ATOM 211 CA GLY A 14 12.236 13.264 -25.455 1.00 11.12 C ATOM 212 C GLY A 14 12.498 12.486 -26.730 1.00 53.30 C ATOM 213 O GLY A 14 12.164 12.940 -27.822 1.00 35.24 O ATOM 0 H GLY A 14 10.444 12.571 -24.618 1.00 62.31 H new ATOM 0 HA2 GLY A 14 12.652 14.267 -25.553 1.00 11.12 H new ATOM 0 HA3 GLY A 14 12.756 12.783 -24.626 1.00 11.12 H new ATOM 217 N GLY A 15 13.099 11.308 -26.589 1.00 41.25 N ATOM 218 CA GLY A 15 13.397 10.485 -27.747 1.00 45.25 C ATOM 219 C GLY A 15 14.840 10.022 -27.773 1.00 34.44 C ATOM 220 O GLY A 15 15.760 10.840 -27.811 1.00 52.54 O ATOM 0 H GLY A 15 13.384 10.909 -25.695 1.00 41.25 H new ATOM 0 HA2 GLY A 15 12.740 9.616 -27.750 1.00 45.25 H new ATOM 0 HA3 GLY A 15 13.183 11.049 -28.655 1.00 45.25 H new ATOM 224 N ALA A 16 15.040 8.710 -27.752 1.00 44.11 N ATOM 225 CA ALA A 16 16.381 8.141 -27.774 1.00 24.00 C ATOM 226 C ALA A 16 16.673 7.473 -29.114 1.00 74.41 C ATOM 227 O ALA A 16 17.821 7.422 -29.557 1.00 65.43 O ATOM 228 CB ALA A 16 16.550 7.143 -26.638 1.00 10.03 C ATOM 0 H ALA A 16 14.290 8.020 -27.720 1.00 44.11 H new ATOM 0 HA ALA A 16 17.095 8.954 -27.639 1.00 24.00 H new ATOM 0 HB1 ALA A 16 17.557 6.726 -26.667 1.00 10.03 H new ATOM 0 HB2 ALA A 16 16.393 7.647 -25.684 1.00 10.03 H new ATOM 0 HB3 ALA A 16 15.821 6.340 -26.748 1.00 10.03 H new ATOM 234 N ASP A 17 15.628 6.964 -29.755 1.00 21.25 N ATOM 235 CA ASP A 17 15.772 6.300 -31.046 1.00 22.13 C ATOM 236 C ASP A 17 14.551 6.552 -31.926 1.00 63.43 C ATOM 237 O ASP A 17 14.605 7.339 -32.870 1.00 62.21 O ATOM 238 CB ASP A 17 15.973 4.796 -30.850 1.00 33.34 C ATOM 239 CG ASP A 17 16.080 4.050 -32.166 1.00 74.05 C ATOM 240 OD1 ASP A 17 17.198 3.977 -32.718 1.00 24.14 O ATOM 241 OD2 ASP A 17 15.046 3.539 -32.643 1.00 43.51 O ATOM 0 H ASP A 17 14.671 6.998 -29.403 1.00 21.25 H new ATOM 0 HA ASP A 17 16.648 6.714 -31.544 1.00 22.13 H new ATOM 0 HB2 ASP A 17 16.877 4.626 -30.265 1.00 33.34 H new ATOM 0 HB3 ASP A 17 15.140 4.393 -30.274 1.00 33.34 H new ATOM 246 N CYS A 18 13.452 5.877 -31.610 1.00 40.22 N ATOM 247 CA CYS A 18 12.217 6.025 -32.372 1.00 12.21 C ATOM 248 C CYS A 18 11.432 7.246 -31.901 1.00 53.10 C ATOM 249 O CYS A 18 10.713 7.872 -32.681 1.00 22.03 O ATOM 250 CB CYS A 18 11.355 4.768 -32.237 1.00 35.23 C ATOM 251 SG CYS A 18 9.651 4.966 -32.849 1.00 25.13 S ATOM 0 H CYS A 18 13.391 5.221 -30.831 1.00 40.22 H new ATOM 0 HA CYS A 18 12.481 6.165 -33.420 1.00 12.21 H new ATOM 0 HB2 CYS A 18 11.833 3.953 -32.781 1.00 35.23 H new ATOM 0 HB3 CYS A 18 11.321 4.475 -31.188 1.00 35.23 H new ATOM 257 N ALA A 19 11.574 7.578 -30.623 1.00 53.14 N ATOM 258 CA ALA A 19 10.880 8.725 -30.050 1.00 34.33 C ATOM 259 C ALA A 19 9.371 8.503 -30.036 1.00 34.24 C ATOM 260 O ALA A 19 8.601 9.434 -29.807 1.00 72.22 O ATOM 261 CB ALA A 19 11.224 9.989 -30.823 1.00 74.21 C ATOM 0 H ALA A 19 12.163 7.069 -29.964 1.00 53.14 H new ATOM 0 HA ALA A 19 11.212 8.842 -29.018 1.00 34.33 H new ATOM 0 HB1 ALA A 19 10.699 10.838 -30.385 1.00 74.21 H new ATOM 0 HB2 ALA A 19 12.299 10.163 -30.776 1.00 74.21 H new ATOM 0 HB3 ALA A 19 10.921 9.873 -31.864 1.00 74.21 H new ATOM 267 N GLU A 20 8.957 7.265 -30.285 1.00 32.41 N ATOM 268 CA GLU A 20 7.540 6.922 -30.303 1.00 73.33 C ATOM 269 C GLU A 20 7.344 5.429 -30.546 1.00 0.00 C ATOM 270 O GLU A 20 6.830 5.022 -31.588 1.00 24.45 O ATOM 271 CB GLU A 20 6.813 7.726 -31.384 1.00 54.24 C ATOM 272 CG GLU A 20 5.366 8.037 -31.040 1.00 50.45 C ATOM 273 CD GLU A 20 5.081 9.526 -31.000 1.00 23.43 C ATOM 274 OE1 GLU A 20 5.342 10.207 -32.013 1.00 51.32 O ATOM 275 OE2 GLU A 20 4.598 10.009 -29.955 1.00 65.21 O ATOM 0 H GLU A 20 9.583 6.483 -30.477 1.00 32.41 H new ATOM 0 HA GLU A 20 7.119 7.171 -29.329 1.00 73.33 H new ATOM 0 HB2 GLU A 20 7.347 8.661 -31.551 1.00 54.24 H new ATOM 0 HB3 GLU A 20 6.844 7.170 -32.321 1.00 54.24 H new ATOM 0 HG2 GLU A 20 4.713 7.566 -31.775 1.00 50.45 H new ATOM 0 HG3 GLU A 20 5.125 7.599 -30.071 1.00 50.45 H new ATOM 282 N TRP A 21 7.756 4.620 -29.577 1.00 62.33 N ATOM 283 CA TRP A 21 7.627 3.171 -29.685 1.00 50.01 C ATOM 284 C TRP A 21 6.177 2.738 -29.491 1.00 0.25 C ATOM 285 O TRP A 21 5.553 3.059 -28.478 1.00 22.14 O ATOM 286 CB TRP A 21 8.520 2.479 -28.654 1.00 74.44 C ATOM 287 CG TRP A 21 9.982 2.607 -28.955 1.00 63.41 C ATOM 288 CD1 TRP A 21 10.899 3.351 -28.268 1.00 31.21 C ATOM 289 CD2 TRP A 21 10.696 1.974 -30.024 1.00 75.33 C ATOM 290 NE1 TRP A 21 12.140 3.217 -28.845 1.00 52.50 N ATOM 291 CE2 TRP A 21 12.041 2.378 -29.922 1.00 10.11 C ATOM 292 CE3 TRP A 21 10.329 1.104 -31.054 1.00 10.11 C ATOM 293 CZ2 TRP A 21 13.019 1.942 -30.814 1.00 4.31 C ATOM 294 CZ3 TRP A 21 11.299 0.672 -31.938 1.00 73.12 C ATOM 295 CH2 TRP A 21 12.631 1.091 -31.814 1.00 43.14 C ATOM 0 H TRP A 21 8.182 4.942 -28.708 1.00 62.33 H new ATOM 0 HA TRP A 21 7.945 2.877 -30.685 1.00 50.01 H new ATOM 0 HB2 TRP A 21 8.321 2.901 -27.669 1.00 74.44 H new ATOM 0 HB3 TRP A 21 8.257 1.422 -28.607 1.00 74.44 H new ATOM 0 HD1 TRP A 21 10.681 3.955 -27.400 1.00 31.21 H new ATOM 0 HE1 TRP A 21 12.995 3.669 -28.523 1.00 52.50 H new ATOM 0 HE3 TRP A 21 9.305 0.775 -31.157 1.00 10.11 H new ATOM 0 HZ2 TRP A 21 14.046 2.264 -30.720 1.00 4.31 H new ATOM 0 HZ3 TRP A 21 11.026 -0.000 -32.738 1.00 73.12 H new ATOM 0 HH2 TRP A 21 13.366 0.736 -32.521 1.00 43.14 H new ATOM 306 N LEU A 22 5.647 2.010 -30.467 1.00 54.41 N ATOM 307 CA LEU A 22 4.269 1.533 -30.403 1.00 24.32 C ATOM 308 C LEU A 22 4.226 0.032 -30.129 1.00 33.01 C ATOM 309 O LEU A 22 4.556 -0.777 -30.996 1.00 43.14 O ATOM 310 CB LEU A 22 3.539 1.846 -31.710 1.00 22.22 C ATOM 311 CG LEU A 22 2.959 3.254 -31.834 1.00 42.22 C ATOM 312 CD1 LEU A 22 2.051 3.563 -30.653 1.00 61.41 C ATOM 313 CD2 LEU A 22 4.073 4.285 -31.935 1.00 71.40 C ATOM 0 H LEU A 22 6.149 1.737 -31.312 1.00 54.41 H new ATOM 0 HA LEU A 22 3.769 2.048 -29.583 1.00 24.32 H new ATOM 0 HB2 LEU A 22 4.231 1.686 -32.537 1.00 22.22 H new ATOM 0 HB3 LEU A 22 2.727 1.129 -31.830 1.00 22.22 H new ATOM 0 HG LEU A 22 2.365 3.301 -32.747 1.00 42.22 H new ATOM 0 HD11 LEU A 22 1.647 4.570 -30.758 1.00 61.41 H new ATOM 0 HD12 LEU A 22 1.232 2.844 -30.626 1.00 61.41 H new ATOM 0 HD13 LEU A 22 2.623 3.496 -29.727 1.00 61.41 H new ATOM 0 HD21 LEU A 22 3.640 5.281 -32.023 1.00 71.40 H new ATOM 0 HD22 LEU A 22 4.695 4.237 -31.041 1.00 71.40 H new ATOM 0 HD23 LEU A 22 4.683 4.076 -32.814 1.00 71.40 H new ATOM 325 N TYR A 23 3.813 -0.330 -28.920 1.00 44.25 N ATOM 326 CA TYR A 23 3.724 -1.733 -28.531 1.00 33.53 C ATOM 327 C TYR A 23 2.284 -2.230 -28.607 1.00 71.22 C ATOM 328 O TYR A 23 1.348 -1.440 -28.716 1.00 51.50 O ATOM 329 CB TYR A 23 4.269 -1.926 -27.115 1.00 25.10 C ATOM 330 CG TYR A 23 5.369 -0.954 -26.751 1.00 43.14 C ATOM 331 CD1 TYR A 23 5.071 0.305 -26.248 1.00 51.05 C ATOM 332 CD2 TYR A 23 6.707 -1.297 -26.909 1.00 52.25 C ATOM 333 CE1 TYR A 23 6.072 1.196 -25.914 1.00 75.25 C ATOM 334 CE2 TYR A 23 7.714 -0.412 -26.577 1.00 62.35 C ATOM 335 CZ TYR A 23 7.392 0.834 -26.081 1.00 43.25 C ATOM 336 OH TYR A 23 8.392 1.718 -25.749 1.00 71.13 O ATOM 0 H TYR A 23 3.534 0.328 -28.192 1.00 44.25 H new ATOM 0 HA TYR A 23 4.326 -2.316 -29.228 1.00 33.53 H new ATOM 0 HB2 TYR A 23 3.451 -1.819 -26.402 1.00 25.10 H new ATOM 0 HB3 TYR A 23 4.647 -2.943 -27.016 1.00 25.10 H new ATOM 0 HD1 TYR A 23 4.039 0.593 -26.116 1.00 51.05 H new ATOM 0 HD2 TYR A 23 6.963 -2.272 -27.298 1.00 52.25 H new ATOM 0 HE1 TYR A 23 5.822 2.172 -25.524 1.00 75.25 H new ATOM 0 HE2 TYR A 23 8.749 -0.694 -26.705 1.00 62.35 H new ATOM 0 HH TYR A 23 9.264 1.307 -25.926 1.00 71.13 H new ATOM 346 N GLY A 24 2.117 -3.547 -28.545 1.00 1.21 N ATOM 347 CA GLY A 24 0.788 -4.130 -28.607 1.00 21.23 C ATOM 348 C GLY A 24 0.345 -4.706 -27.278 1.00 22.43 C ATOM 349 O GLY A 24 0.178 -3.974 -26.302 1.00 24.23 O ATOM 0 H GLY A 24 2.877 -4.221 -28.453 1.00 1.21 H new ATOM 0 HA2 GLY A 24 0.075 -3.369 -28.925 1.00 21.23 H new ATOM 0 HA3 GLY A 24 0.774 -4.916 -29.363 1.00 21.23 H new ATOM 353 N SER A 25 0.151 -6.021 -27.239 1.00 35.50 N ATOM 354 CA SER A 25 -0.281 -6.694 -26.021 1.00 3.50 C ATOM 355 C SER A 25 0.909 -7.297 -25.282 1.00 24.40 C ATOM 356 O SER A 25 2.008 -7.398 -25.828 1.00 74.34 O ATOM 357 CB SER A 25 -1.298 -7.788 -26.351 1.00 72.00 C ATOM 358 OG SER A 25 -0.668 -8.907 -26.949 1.00 4.25 O ATOM 0 H SER A 25 0.286 -6.641 -28.038 1.00 35.50 H new ATOM 0 HA SER A 25 -0.751 -5.954 -25.374 1.00 3.50 H new ATOM 0 HB2 SER A 25 -1.810 -8.099 -25.441 1.00 72.00 H new ATOM 0 HB3 SER A 25 -2.058 -7.391 -27.025 1.00 72.00 H new ATOM 0 HG SER A 25 -1.339 -9.592 -27.149 1.00 4.25 H new ATOM 364 N CYS A 26 0.683 -7.699 -24.036 1.00 61.40 N ATOM 365 CA CYS A 26 1.735 -8.291 -23.219 1.00 45.30 C ATOM 366 C CYS A 26 1.570 -9.806 -23.136 1.00 20.22 C ATOM 367 O CYS A 26 0.463 -10.313 -22.954 1.00 55.24 O ATOM 368 CB CYS A 26 1.720 -7.688 -21.814 1.00 63.20 C ATOM 369 SG CYS A 26 2.630 -6.116 -21.669 1.00 73.10 S ATOM 0 H CYS A 26 -0.221 -7.625 -23.569 1.00 61.40 H new ATOM 0 HA CYS A 26 2.693 -8.072 -23.690 1.00 45.30 H new ATOM 0 HB2 CYS A 26 0.686 -7.526 -21.511 1.00 63.20 H new ATOM 0 HB3 CYS A 26 2.147 -8.408 -21.117 1.00 63.20 H new ATOM 375 N VAL A 27 2.680 -10.525 -23.272 1.00 65.34 N ATOM 376 CA VAL A 27 2.660 -11.982 -23.210 1.00 75.13 C ATOM 377 C VAL A 27 3.290 -12.487 -21.916 1.00 1.13 C ATOM 378 O VAL A 27 4.473 -12.262 -21.662 1.00 41.14 O ATOM 379 CB VAL A 27 3.403 -12.604 -24.407 1.00 55.10 C ATOM 380 CG1 VAL A 27 3.172 -14.107 -24.457 1.00 10.13 C ATOM 381 CG2 VAL A 27 2.965 -11.946 -25.707 1.00 63.30 C ATOM 0 H VAL A 27 3.604 -10.122 -23.426 1.00 65.34 H new ATOM 0 HA VAL A 27 1.614 -12.286 -23.243 1.00 75.13 H new ATOM 0 HB VAL A 27 4.471 -12.429 -24.280 1.00 55.10 H new ATOM 0 HG11 VAL A 27 3.705 -14.529 -25.309 1.00 10.13 H new ATOM 0 HG12 VAL A 27 3.540 -14.562 -23.538 1.00 10.13 H new ATOM 0 HG13 VAL A 27 2.106 -14.308 -24.560 1.00 10.13 H new ATOM 0 HG21 VAL A 27 3.500 -12.398 -26.542 1.00 63.30 H new ATOM 0 HG22 VAL A 27 1.893 -12.088 -25.844 1.00 63.30 H new ATOM 0 HG23 VAL A 27 3.188 -10.880 -25.668 1.00 63.30 H new ATOM 391 N ALA A 28 2.491 -13.170 -21.103 1.00 1.32 N ATOM 392 CA ALA A 28 2.971 -13.710 -19.837 1.00 74.30 C ATOM 393 C ALA A 28 3.971 -14.837 -20.065 1.00 62.12 C ATOM 394 O ALA A 28 3.729 -15.745 -20.860 1.00 52.54 O ATOM 395 CB ALA A 28 1.802 -14.200 -18.995 1.00 52.41 C ATOM 0 H ALA A 28 1.509 -13.362 -21.298 1.00 1.32 H new ATOM 0 HA ALA A 28 3.481 -12.911 -19.299 1.00 74.30 H new ATOM 0 HB1 ALA A 28 2.175 -14.601 -18.052 1.00 52.41 H new ATOM 0 HB2 ALA A 28 1.125 -13.370 -18.794 1.00 52.41 H new ATOM 0 HB3 ALA A 28 1.267 -14.981 -19.535 1.00 52.41 H new ATOM 401 N ASN A 29 5.098 -14.774 -19.362 1.00 43.00 N ATOM 402 CA ASN A 29 6.136 -15.791 -19.487 1.00 14.54 C ATOM 403 C ASN A 29 5.548 -17.190 -19.334 1.00 62.31 C ATOM 404 O ASN A 29 6.042 -18.150 -19.924 1.00 1.23 O ATOM 405 CB ASN A 29 7.229 -15.566 -18.441 1.00 51.00 C ATOM 406 CG ASN A 29 8.143 -16.766 -18.293 1.00 3.31 C ATOM 407 OD1 ASN A 29 8.669 -17.286 -19.277 1.00 75.23 O ATOM 408 ND2 ASN A 29 8.336 -17.215 -17.058 1.00 54.41 N ATOM 0 H ASN A 29 5.315 -14.029 -18.700 1.00 43.00 H new ATOM 0 HA ASN A 29 6.574 -15.708 -20.482 1.00 14.54 H new ATOM 0 HB2 ASN A 29 7.821 -14.694 -18.720 1.00 51.00 H new ATOM 0 HB3 ASN A 29 6.767 -15.344 -17.479 1.00 51.00 H new ATOM 0 HD21 ASN A 29 8.940 -18.021 -16.897 1.00 54.41 H new ATOM 0 HD22 ASN A 29 7.880 -16.754 -16.271 1.00 54.41 H new ATOM 415 N ASN A 30 4.491 -17.297 -18.535 1.00 62.00 N ATOM 416 CA ASN A 30 3.837 -18.580 -18.303 1.00 42.12 C ATOM 417 C ASN A 30 2.749 -18.831 -19.344 1.00 23.11 C ATOM 418 O ASN A 30 2.665 -18.132 -20.351 1.00 75.32 O ATOM 419 CB ASN A 30 3.233 -18.620 -16.897 1.00 11.10 C ATOM 420 CG ASN A 30 4.161 -18.035 -15.852 1.00 72.34 C ATOM 421 OD1 ASN A 30 3.826 -17.053 -15.189 1.00 42.23 O ATOM 422 ND2 ASN A 30 5.336 -18.635 -15.701 1.00 34.13 N ATOM 0 H ASN A 30 4.070 -16.512 -18.038 1.00 62.00 H new ATOM 0 HA ASN A 30 4.588 -19.365 -18.391 1.00 42.12 H new ATOM 0 HB2 ASN A 30 2.293 -18.069 -16.893 1.00 11.10 H new ATOM 0 HB3 ASN A 30 2.999 -19.652 -16.634 1.00 11.10 H new ATOM 0 HD21 ASN A 30 6.003 -18.284 -15.014 1.00 34.13 H new ATOM 0 HD22 ASN A 30 5.571 -19.446 -16.272 1.00 34.13 H new ATOM 429 N GLY A 31 1.917 -19.838 -19.091 1.00 51.11 N ATOM 430 CA GLY A 31 0.847 -20.164 -20.013 1.00 11.54 C ATOM 431 C GLY A 31 -0.488 -19.589 -19.581 1.00 12.25 C ATOM 432 O GLY A 31 -1.543 -20.063 -20.003 1.00 64.51 O ATOM 0 H GLY A 31 1.966 -20.433 -18.264 1.00 51.11 H new ATOM 0 HA2 GLY A 31 1.098 -19.786 -21.004 1.00 11.54 H new ATOM 0 HA3 GLY A 31 0.762 -21.247 -20.097 1.00 11.54 H new ATOM 436 N ASP A 32 -0.442 -18.564 -18.736 1.00 10.20 N ATOM 437 CA ASP A 32 -1.656 -17.923 -18.245 1.00 30.23 C ATOM 438 C ASP A 32 -1.418 -16.441 -17.976 1.00 10.15 C ATOM 439 O ASP A 32 -1.844 -15.582 -18.750 1.00 51.52 O ATOM 440 CB ASP A 32 -2.144 -18.613 -16.971 1.00 62.10 C ATOM 441 CG ASP A 32 -3.431 -18.013 -16.443 1.00 3.43 C ATOM 442 OD1 ASP A 32 -4.049 -17.203 -17.166 1.00 30.32 O ATOM 443 OD2 ASP A 32 -3.823 -18.351 -15.307 1.00 72.44 O ATOM 0 H ASP A 32 0.423 -18.160 -18.377 1.00 10.20 H new ATOM 0 HA ASP A 32 -2.422 -18.016 -19.015 1.00 30.23 H new ATOM 0 HB2 ASP A 32 -2.297 -19.673 -17.172 1.00 62.10 H new ATOM 0 HB3 ASP A 32 -1.372 -18.542 -16.205 1.00 62.10 H new ATOM 448 N CYS A 33 -0.734 -16.145 -16.876 1.00 2.23 N ATOM 449 CA CYS A 33 -0.440 -14.768 -16.504 1.00 14.11 C ATOM 450 C CYS A 33 0.803 -14.697 -15.622 1.00 61.42 C ATOM 451 O CYS A 33 1.104 -15.629 -14.878 1.00 53.35 O ATOM 452 CB CYS A 33 -1.632 -14.149 -15.773 1.00 52.33 C ATOM 453 SG CYS A 33 -2.576 -15.330 -14.756 1.00 62.14 S ATOM 0 H CYS A 33 -0.373 -16.843 -16.226 1.00 2.23 H new ATOM 0 HA CYS A 33 -0.250 -14.204 -17.417 1.00 14.11 H new ATOM 0 HB2 CYS A 33 -1.274 -13.342 -15.134 1.00 52.33 H new ATOM 0 HB3 CYS A 33 -2.302 -13.701 -16.507 1.00 52.33 H new ATOM 459 N GLY A 34 1.524 -13.583 -15.713 1.00 12.35 N ATOM 460 CA GLY A 34 2.727 -13.410 -14.919 1.00 14.44 C ATOM 461 C GLY A 34 3.748 -12.520 -15.600 1.00 31.21 C ATOM 462 O GLY A 34 3.504 -12.008 -16.693 1.00 63.44 O ATOM 0 H GLY A 34 1.296 -12.797 -16.322 1.00 12.35 H new ATOM 0 HA2 GLY A 34 2.462 -12.981 -13.953 1.00 14.44 H new ATOM 0 HA3 GLY A 34 3.173 -14.385 -14.723 1.00 14.44 H new ATOM 466 N GLN A 35 4.893 -12.334 -14.953 1.00 21.12 N ATOM 467 CA GLN A 35 5.954 -11.498 -15.503 1.00 73.03 C ATOM 468 C GLN A 35 6.489 -12.083 -16.806 1.00 64.24 C ATOM 469 O GLN A 35 7.045 -13.181 -16.823 1.00 20.00 O ATOM 470 CB GLN A 35 7.092 -11.350 -14.490 1.00 42.11 C ATOM 471 CG GLN A 35 8.067 -10.233 -14.830 1.00 4.23 C ATOM 472 CD GLN A 35 9.397 -10.755 -15.338 1.00 11.10 C ATOM 473 OE1 GLN A 35 9.583 -10.948 -16.539 1.00 31.34 O ATOM 474 NE2 GLN A 35 10.331 -10.983 -14.422 1.00 30.32 N ATOM 0 H GLN A 35 5.110 -12.750 -14.048 1.00 21.12 H new ATOM 0 HA GLN A 35 5.535 -10.514 -15.714 1.00 73.03 H new ATOM 0 HB2 GLN A 35 6.667 -11.163 -13.504 1.00 42.11 H new ATOM 0 HB3 GLN A 35 7.638 -12.292 -14.429 1.00 42.11 H new ATOM 0 HG2 GLN A 35 7.623 -9.585 -15.586 1.00 4.23 H new ATOM 0 HG3 GLN A 35 8.236 -9.621 -13.944 1.00 4.23 H new ATOM 0 HE21 GLN A 35 10.132 -10.809 -13.437 1.00 30.32 H new ATOM 0 HE22 GLN A 35 11.247 -11.332 -14.704 1.00 30.32 H new ATOM 483 N GLY A 36 6.316 -11.343 -17.896 1.00 32.23 N ATOM 484 CA GLY A 36 6.786 -11.805 -19.189 1.00 70.10 C ATOM 485 C GLY A 36 7.451 -10.704 -19.992 1.00 60.34 C ATOM 486 O GLY A 36 8.179 -9.878 -19.442 1.00 40.01 O ATOM 0 H GLY A 36 5.859 -10.431 -17.907 1.00 32.23 H new ATOM 0 HA2 GLY A 36 7.493 -12.622 -19.044 1.00 70.10 H new ATOM 0 HA3 GLY A 36 5.946 -12.207 -19.755 1.00 70.10 H new ATOM 490 N MET A 37 7.202 -10.693 -21.297 1.00 61.04 N ATOM 491 CA MET A 37 7.781 -9.685 -22.177 1.00 23.41 C ATOM 492 C MET A 37 6.760 -9.206 -23.204 1.00 3.11 C ATOM 493 O MET A 37 5.758 -9.877 -23.455 1.00 42.02 O ATOM 494 CB MET A 37 9.013 -10.248 -22.889 1.00 10.44 C ATOM 495 CG MET A 37 9.814 -9.195 -23.641 1.00 43.13 C ATOM 496 SD MET A 37 11.552 -9.641 -23.817 1.00 53.13 S ATOM 497 CE MET A 37 11.493 -10.661 -25.288 1.00 44.04 C ATOM 0 H MET A 37 6.603 -11.371 -21.769 1.00 61.04 H new ATOM 0 HA MET A 37 8.080 -8.833 -21.566 1.00 23.41 H new ATOM 0 HB2 MET A 37 9.659 -10.729 -22.155 1.00 10.44 H new ATOM 0 HB3 MET A 37 8.696 -11.021 -23.589 1.00 10.44 H new ATOM 0 HG2 MET A 37 9.378 -9.050 -24.629 1.00 43.13 H new ATOM 0 HG3 MET A 37 9.738 -8.243 -23.116 1.00 43.13 H new ATOM 0 HE1 MET A 37 12.503 -10.971 -25.557 1.00 44.04 H new ATOM 0 HE2 MET A 37 10.882 -11.543 -25.095 1.00 44.04 H new ATOM 0 HE3 MET A 37 11.058 -10.091 -26.109 1.00 44.04 H new ATOM 507 N ARG A 38 7.020 -8.045 -23.794 1.00 50.01 N ATOM 508 CA ARG A 38 6.121 -7.477 -24.791 1.00 34.35 C ATOM 509 C ARG A 38 6.902 -6.984 -26.008 1.00 52.34 C ATOM 510 O ARG A 38 7.855 -6.217 -25.875 1.00 14.20 O ATOM 511 CB ARG A 38 5.317 -6.326 -24.188 1.00 53.44 C ATOM 512 CG ARG A 38 4.872 -5.291 -25.210 1.00 53.41 C ATOM 513 CD ARG A 38 3.517 -4.701 -24.852 1.00 71.51 C ATOM 514 NE ARG A 38 3.599 -3.795 -23.709 1.00 1.24 N ATOM 515 CZ ARG A 38 2.689 -2.865 -23.443 1.00 60.11 C ATOM 516 NH1 ARG A 38 1.633 -2.719 -24.231 1.00 44.44 N ATOM 517 NH2 ARG A 38 2.834 -2.078 -22.384 1.00 40.02 N ATOM 0 H ARG A 38 7.846 -7.479 -23.599 1.00 50.01 H new ATOM 0 HA ARG A 38 5.434 -8.260 -25.113 1.00 34.35 H new ATOM 0 HB2 ARG A 38 4.438 -6.732 -23.688 1.00 53.44 H new ATOM 0 HB3 ARG A 38 5.920 -5.834 -23.424 1.00 53.44 H new ATOM 0 HG2 ARG A 38 5.613 -4.494 -25.268 1.00 53.41 H new ATOM 0 HG3 ARG A 38 4.820 -5.751 -26.197 1.00 53.41 H new ATOM 0 HD2 ARG A 38 3.117 -4.164 -25.712 1.00 71.51 H new ATOM 0 HD3 ARG A 38 2.819 -5.507 -24.626 1.00 71.51 H new ATOM 0 HE ARG A 38 4.398 -3.881 -23.081 1.00 1.24 H new ATOM 0 HH11 ARG A 38 1.517 -3.322 -25.045 1.00 44.44 H new ATOM 0 HH12 ARG A 38 0.936 -2.003 -24.023 1.00 44.44 H new ATOM 0 HH21 ARG A 38 3.644 -2.187 -21.774 1.00 40.02 H new ATOM 0 HH22 ARG A 38 2.135 -1.364 -22.180 1.00 40.02 H new ATOM 531 N GLU A 39 6.490 -7.430 -27.189 1.00 5.22 N ATOM 532 CA GLU A 39 7.151 -7.036 -28.428 1.00 63.13 C ATOM 533 C GLU A 39 6.403 -5.889 -29.102 1.00 3.45 C ATOM 534 O GLU A 39 5.259 -6.044 -29.524 1.00 3.32 O ATOM 535 CB GLU A 39 7.249 -8.228 -29.382 1.00 35.32 C ATOM 536 CG GLU A 39 8.595 -8.933 -29.338 1.00 23.12 C ATOM 537 CD GLU A 39 8.472 -10.402 -28.985 1.00 41.31 C ATOM 538 OE1 GLU A 39 8.197 -10.707 -27.805 1.00 54.31 O ATOM 539 OE2 GLU A 39 8.650 -11.248 -29.886 1.00 33.21 O ATOM 0 H GLU A 39 5.701 -8.065 -27.315 1.00 5.22 H new ATOM 0 HA GLU A 39 8.157 -6.695 -28.181 1.00 63.13 H new ATOM 0 HB2 GLU A 39 6.465 -8.944 -29.137 1.00 35.32 H new ATOM 0 HB3 GLU A 39 7.061 -7.885 -30.399 1.00 35.32 H new ATOM 0 HG2 GLU A 39 9.084 -8.836 -30.307 1.00 23.12 H new ATOM 0 HG3 GLU A 39 9.236 -8.440 -28.607 1.00 23.12 H new ATOM 546 N GLY A 40 7.060 -4.737 -29.200 1.00 11.21 N ATOM 547 CA GLY A 40 6.443 -3.582 -29.824 1.00 61.21 C ATOM 548 C GLY A 40 7.071 -3.239 -31.159 1.00 54.13 C ATOM 549 O GLY A 40 8.245 -3.527 -31.396 1.00 41.13 O ATOM 0 H GLY A 40 8.009 -4.584 -28.858 1.00 11.21 H new ATOM 0 HA2 GLY A 40 5.379 -3.774 -29.965 1.00 61.21 H new ATOM 0 HA3 GLY A 40 6.526 -2.725 -29.156 1.00 61.21 H new ATOM 553 N THR A 41 6.287 -2.623 -32.039 1.00 74.52 N ATOM 554 CA THR A 41 6.771 -2.242 -33.359 1.00 24.43 C ATOM 555 C THR A 41 6.579 -0.751 -33.608 1.00 10.31 C ATOM 556 O THR A 41 5.511 -0.200 -33.343 1.00 55.05 O ATOM 557 CB THR A 41 6.055 -3.033 -34.471 1.00 64.33 C ATOM 558 OG1 THR A 41 6.361 -2.467 -35.751 1.00 41.15 O ATOM 559 CG2 THR A 41 4.550 -3.027 -34.253 1.00 11.14 C ATOM 0 H THR A 41 5.313 -2.378 -31.860 1.00 74.52 H new ATOM 0 HA THR A 41 7.835 -2.477 -33.383 1.00 24.43 H new ATOM 0 HB THR A 41 6.407 -4.064 -34.439 1.00 64.33 H new ATOM 0 HG1 THR A 41 7.309 -2.221 -35.782 1.00 41.15 H new ATOM 0 HG21 THR A 41 4.065 -3.591 -35.050 1.00 11.14 H new ATOM 0 HG22 THR A 41 4.320 -3.486 -33.291 1.00 11.14 H new ATOM 0 HG23 THR A 41 4.185 -2.000 -34.262 1.00 11.14 H new ATOM 567 N CYS A 42 7.619 -0.101 -34.120 1.00 13.42 N ATOM 568 CA CYS A 42 7.564 1.327 -34.406 1.00 41.12 C ATOM 569 C CYS A 42 7.883 1.602 -35.873 1.00 51.22 C ATOM 570 O CYS A 42 9.018 1.426 -36.316 1.00 60.12 O ATOM 571 CB CYS A 42 8.544 2.086 -33.509 1.00 1.21 C ATOM 572 SG CYS A 42 8.828 3.813 -34.011 1.00 13.44 S ATOM 0 H CYS A 42 8.511 -0.542 -34.345 1.00 13.42 H new ATOM 0 HA CYS A 42 6.551 1.674 -34.202 1.00 41.12 H new ATOM 0 HB2 CYS A 42 8.168 2.074 -32.486 1.00 1.21 H new ATOM 0 HB3 CYS A 42 9.498 1.559 -33.504 1.00 1.21 H new ATOM 578 N ASN A 43 6.874 2.033 -36.622 1.00 72.23 N ATOM 579 CA ASN A 43 7.047 2.331 -38.039 1.00 72.04 C ATOM 580 C ASN A 43 7.471 1.086 -38.810 1.00 32.11 C ATOM 581 O ASN A 43 6.641 0.400 -39.407 1.00 32.12 O ATOM 582 CB ASN A 43 8.085 3.440 -38.225 1.00 2.51 C ATOM 583 CG ASN A 43 7.597 4.781 -37.715 1.00 74.15 C ATOM 584 OD1 ASN A 43 6.440 5.151 -37.915 1.00 52.03 O ATOM 585 ND2 ASN A 43 8.480 5.519 -37.051 1.00 25.54 N ATOM 0 H ASN A 43 5.928 2.184 -36.272 1.00 72.23 H new ATOM 0 HA ASN A 43 6.089 2.670 -38.433 1.00 72.04 H new ATOM 0 HB2 ASN A 43 9.001 3.167 -37.702 1.00 2.51 H new ATOM 0 HB3 ASN A 43 8.335 3.526 -39.282 1.00 2.51 H new ATOM 0 HD21 ASN A 43 8.209 6.431 -36.684 1.00 25.54 H new ATOM 0 HD22 ASN A 43 9.429 5.173 -36.908 1.00 25.54 H new ATOM 592 N GLU A 44 8.769 0.799 -38.790 1.00 1.31 N ATOM 593 CA GLU A 44 9.304 -0.364 -39.488 1.00 45.52 C ATOM 594 C GLU A 44 10.396 -1.039 -38.663 1.00 21.24 C ATOM 595 O GLU A 44 11.284 -1.693 -39.208 1.00 65.20 O ATOM 596 CB GLU A 44 9.859 0.042 -40.855 1.00 73.33 C ATOM 597 CG GLU A 44 10.707 1.302 -40.815 1.00 11.23 C ATOM 598 CD GLU A 44 11.299 1.648 -42.168 1.00 73.31 C ATOM 599 OE1 GLU A 44 10.521 1.897 -43.112 1.00 34.52 O ATOM 600 OE2 GLU A 44 12.544 1.672 -42.281 1.00 43.40 O ATOM 0 H GLU A 44 9.469 1.355 -38.299 1.00 1.31 H new ATOM 0 HA GLU A 44 8.490 -1.074 -39.632 1.00 45.52 H new ATOM 0 HB2 GLU A 44 10.458 -0.777 -41.253 1.00 73.33 H new ATOM 0 HB3 GLU A 44 9.029 0.194 -41.545 1.00 73.33 H new ATOM 0 HG2 GLU A 44 10.097 2.135 -40.465 1.00 11.23 H new ATOM 0 HG3 GLU A 44 11.513 1.171 -40.093 1.00 11.23 H new ATOM 607 N GLN A 45 10.323 -0.873 -37.346 1.00 32.23 N ATOM 608 CA GLN A 45 11.306 -1.465 -36.447 1.00 54.21 C ATOM 609 C GLN A 45 10.621 -2.179 -35.286 1.00 1.32 C ATOM 610 O GLN A 45 9.430 -1.986 -35.041 1.00 61.55 O ATOM 611 CB GLN A 45 12.251 -0.388 -35.911 1.00 72.34 C ATOM 612 CG GLN A 45 12.749 0.571 -36.980 1.00 13.04 C ATOM 613 CD GLN A 45 13.684 1.628 -36.428 1.00 41.31 C ATOM 614 OE1 GLN A 45 13.296 2.438 -35.584 1.00 12.03 O ATOM 615 NE2 GLN A 45 14.925 1.627 -36.900 1.00 32.42 N ATOM 0 H GLN A 45 9.594 -0.334 -36.879 1.00 32.23 H new ATOM 0 HA GLN A 45 11.883 -2.198 -37.011 1.00 54.21 H new ATOM 0 HB2 GLN A 45 11.738 0.180 -35.135 1.00 72.34 H new ATOM 0 HB3 GLN A 45 13.107 -0.870 -35.439 1.00 72.34 H new ATOM 0 HG2 GLN A 45 13.264 0.006 -37.757 1.00 13.04 H new ATOM 0 HG3 GLN A 45 11.895 1.058 -37.452 1.00 13.04 H new ATOM 0 HE21 GLN A 45 15.204 0.938 -37.598 1.00 32.42 H new ATOM 0 HE22 GLN A 45 15.599 2.315 -36.564 1.00 32.42 H new ATOM 624 N THR A 46 11.382 -3.006 -34.575 1.00 13.12 N ATOM 625 CA THR A 46 10.848 -3.751 -33.442 1.00 24.42 C ATOM 626 C THR A 46 11.582 -3.393 -32.154 1.00 34.34 C ATOM 627 O THR A 46 12.737 -2.970 -32.183 1.00 30.43 O ATOM 628 CB THR A 46 10.950 -5.270 -33.671 1.00 4.13 C ATOM 629 OG1 THR A 46 11.712 -5.538 -34.853 1.00 45.11 O ATOM 630 CG2 THR A 46 9.568 -5.892 -33.801 1.00 71.13 C ATOM 0 H THR A 46 12.370 -3.176 -34.764 1.00 13.12 H new ATOM 0 HA THR A 46 9.798 -3.474 -33.348 1.00 24.42 H new ATOM 0 HB THR A 46 11.450 -5.712 -32.809 1.00 4.13 H new ATOM 0 HG1 THR A 46 11.773 -6.506 -34.990 1.00 45.11 H new ATOM 0 HG21 THR A 46 9.666 -6.966 -33.962 1.00 71.13 H new ATOM 0 HG22 THR A 46 9.001 -5.712 -32.888 1.00 71.13 H new ATOM 0 HG23 THR A 46 9.046 -5.444 -34.646 1.00 71.13 H new ATOM 638 N ARG A 47 10.903 -3.564 -31.025 1.00 3.10 N ATOM 639 CA ARG A 47 11.489 -3.258 -29.725 1.00 35.34 C ATOM 640 C ARG A 47 10.956 -4.202 -28.652 1.00 33.42 C ATOM 641 O ARG A 47 9.767 -4.516 -28.622 1.00 41.24 O ATOM 642 CB ARG A 47 11.193 -1.808 -29.339 1.00 62.02 C ATOM 643 CG ARG A 47 12.398 -1.068 -28.781 1.00 30.43 C ATOM 644 CD ARG A 47 13.083 -1.864 -27.681 1.00 20.01 C ATOM 645 NE ARG A 47 13.876 -1.011 -26.801 1.00 52.00 N ATOM 646 CZ ARG A 47 14.784 -1.477 -25.949 1.00 0.12 C ATOM 647 NH1 ARG A 47 15.010 -2.780 -25.864 1.00 21.44 N ATOM 648 NH2 ARG A 47 15.466 -0.637 -25.181 1.00 61.32 N ATOM 0 H ARG A 47 9.946 -3.913 -30.984 1.00 3.10 H new ATOM 0 HA ARG A 47 12.568 -3.394 -29.799 1.00 35.34 H new ATOM 0 HB2 ARG A 47 10.824 -1.276 -30.216 1.00 62.02 H new ATOM 0 HB3 ARG A 47 10.394 -1.794 -28.598 1.00 62.02 H new ATOM 0 HG2 ARG A 47 13.108 -0.870 -29.584 1.00 30.43 H new ATOM 0 HG3 ARG A 47 12.083 -0.101 -28.389 1.00 30.43 H new ATOM 0 HD2 ARG A 47 12.331 -2.392 -27.094 1.00 20.01 H new ATOM 0 HD3 ARG A 47 13.727 -2.621 -28.129 1.00 20.01 H new ATOM 0 HE ARG A 47 13.725 -0.003 -26.842 1.00 52.00 H new ATOM 0 HH11 ARG A 47 14.487 -3.428 -26.453 1.00 21.44 H new ATOM 0 HH12 ARG A 47 15.707 -3.135 -25.210 1.00 21.44 H new ATOM 0 HH21 ARG A 47 15.294 0.366 -25.244 1.00 61.32 H new ATOM 0 HH22 ARG A 47 16.163 -0.995 -24.527 1.00 61.32 H new ATOM 662 N LYS A 48 11.847 -4.651 -27.773 1.00 2.35 N ATOM 663 CA LYS A 48 11.468 -5.559 -26.697 1.00 64.00 C ATOM 664 C LYS A 48 11.374 -4.818 -25.367 1.00 14.31 C ATOM 665 O LYS A 48 12.303 -4.113 -24.972 1.00 52.25 O ATOM 666 CB LYS A 48 12.480 -6.702 -26.586 1.00 11.23 C ATOM 667 CG LYS A 48 12.486 -7.628 -27.789 1.00 61.34 C ATOM 668 CD LYS A 48 13.881 -8.152 -28.083 1.00 74.52 C ATOM 669 CE LYS A 48 13.934 -8.882 -29.416 1.00 43.23 C ATOM 670 NZ LYS A 48 14.926 -8.272 -30.344 1.00 22.34 N ATOM 0 H LYS A 48 12.836 -4.401 -27.785 1.00 2.35 H new ATOM 0 HA LYS A 48 10.487 -5.972 -26.933 1.00 64.00 H new ATOM 0 HB2 LYS A 48 13.477 -6.282 -26.457 1.00 11.23 H new ATOM 0 HB3 LYS A 48 12.261 -7.284 -25.691 1.00 11.23 H new ATOM 0 HG2 LYS A 48 11.813 -8.466 -27.608 1.00 61.34 H new ATOM 0 HG3 LYS A 48 12.105 -7.096 -28.661 1.00 61.34 H new ATOM 0 HD2 LYS A 48 14.588 -7.322 -28.093 1.00 74.52 H new ATOM 0 HD3 LYS A 48 14.193 -8.826 -27.285 1.00 74.52 H new ATOM 0 HE2 LYS A 48 14.190 -9.928 -29.247 1.00 43.23 H new ATOM 0 HE3 LYS A 48 12.947 -8.866 -29.878 1.00 43.23 H new ATOM 0 HZ1 LYS A 48 14.932 -8.798 -31.241 1.00 22.34 H new ATOM 0 HZ2 LYS A 48 14.668 -7.281 -30.526 1.00 22.34 H new ATOM 0 HZ3 LYS A 48 15.872 -8.310 -29.914 1.00 22.34 H new ATOM 684 N VAL A 49 10.247 -4.981 -24.682 1.00 63.11 N ATOM 685 CA VAL A 49 10.033 -4.329 -23.395 1.00 21.11 C ATOM 686 C VAL A 49 9.482 -5.311 -22.367 1.00 73.45 C ATOM 687 O VAL A 49 8.691 -6.193 -22.697 1.00 11.44 O ATOM 688 CB VAL A 49 9.065 -3.139 -23.523 1.00 54.45 C ATOM 689 CG1 VAL A 49 9.752 -1.961 -24.198 1.00 40.15 C ATOM 690 CG2 VAL A 49 7.816 -3.548 -24.290 1.00 34.02 C ATOM 0 H VAL A 49 9.468 -5.559 -24.997 1.00 63.11 H new ATOM 0 HA VAL A 49 11.003 -3.963 -23.060 1.00 21.11 H new ATOM 0 HB VAL A 49 8.764 -2.829 -22.522 1.00 54.45 H new ATOM 0 HG11 VAL A 49 9.052 -1.130 -24.280 1.00 40.15 H new ATOM 0 HG12 VAL A 49 10.613 -1.653 -23.605 1.00 40.15 H new ATOM 0 HG13 VAL A 49 10.084 -2.255 -25.194 1.00 40.15 H new ATOM 0 HG21 VAL A 49 7.143 -2.694 -24.371 1.00 34.02 H new ATOM 0 HG22 VAL A 49 8.096 -3.885 -25.288 1.00 34.02 H new ATOM 0 HG23 VAL A 49 7.313 -4.358 -23.761 1.00 34.02 H new ATOM 700 N LYS A 50 9.904 -5.148 -21.118 1.00 23.14 N ATOM 701 CA LYS A 50 9.453 -6.018 -20.038 1.00 4.45 C ATOM 702 C LYS A 50 8.208 -5.449 -19.366 1.00 3.10 C ATOM 703 O LYS A 50 8.205 -4.306 -18.909 1.00 42.23 O ATOM 704 CB LYS A 50 10.566 -6.202 -19.004 1.00 51.20 C ATOM 705 CG LYS A 50 11.765 -6.971 -19.530 1.00 61.43 C ATOM 706 CD LYS A 50 11.677 -8.447 -19.181 1.00 40.01 C ATOM 707 CE LYS A 50 12.539 -9.291 -20.107 1.00 42.42 C ATOM 708 NZ LYS A 50 13.931 -8.771 -20.196 1.00 0.24 N ATOM 0 H LYS A 50 10.558 -4.421 -20.828 1.00 23.14 H new ATOM 0 HA LYS A 50 9.202 -6.988 -20.467 1.00 4.45 H new ATOM 0 HB2 LYS A 50 10.896 -5.222 -18.660 1.00 51.20 H new ATOM 0 HB3 LYS A 50 10.162 -6.725 -18.137 1.00 51.20 H new ATOM 0 HG2 LYS A 50 11.827 -6.855 -20.612 1.00 61.43 H new ATOM 0 HG3 LYS A 50 12.680 -6.551 -19.112 1.00 61.43 H new ATOM 0 HD2 LYS A 50 11.994 -8.598 -18.149 1.00 40.01 H new ATOM 0 HD3 LYS A 50 10.640 -8.776 -19.247 1.00 40.01 H new ATOM 0 HE2 LYS A 50 12.558 -10.320 -19.748 1.00 42.42 H new ATOM 0 HE3 LYS A 50 12.094 -9.309 -21.102 1.00 42.42 H new ATOM 0 HZ1 LYS A 50 14.539 -9.482 -20.650 1.00 0.24 H new ATOM 0 HZ2 LYS A 50 13.940 -7.897 -20.760 1.00 0.24 H new ATOM 0 HZ3 LYS A 50 14.288 -8.570 -19.240 1.00 0.24 H new ATOM 722 N CYS A 51 7.152 -6.255 -19.306 1.00 23.12 N ATOM 723 CA CYS A 51 5.902 -5.833 -18.689 1.00 32.11 C ATOM 724 C CYS A 51 5.301 -6.958 -17.852 1.00 74.12 C ATOM 725 O CYS A 51 5.784 -8.090 -17.878 1.00 51.35 O ATOM 726 CB CYS A 51 4.902 -5.392 -19.762 1.00 71.35 C ATOM 727 SG CYS A 51 4.418 -6.716 -20.916 1.00 72.55 S ATOM 0 H CYS A 51 7.139 -7.205 -19.678 1.00 23.12 H new ATOM 0 HA CYS A 51 6.117 -4.990 -18.033 1.00 32.11 H new ATOM 0 HB2 CYS A 51 4.008 -5.006 -19.273 1.00 71.35 H new ATOM 0 HB3 CYS A 51 5.335 -4.569 -20.331 1.00 71.35 H new ATOM 733 N ARG A 52 4.247 -6.637 -17.110 1.00 44.13 N ATOM 734 CA ARG A 52 3.582 -7.620 -16.263 1.00 55.53 C ATOM 735 C ARG A 52 2.228 -8.014 -16.848 1.00 2.32 C ATOM 736 O ARG A 52 1.453 -7.161 -17.278 1.00 1.11 O ATOM 737 CB ARG A 52 3.394 -7.065 -14.850 1.00 30.40 C ATOM 738 CG ARG A 52 3.902 -7.994 -13.758 1.00 14.12 C ATOM 739 CD ARG A 52 5.387 -8.280 -13.918 1.00 62.22 C ATOM 740 NE ARG A 52 6.148 -7.905 -12.729 1.00 24.23 N ATOM 741 CZ ARG A 52 6.554 -6.667 -12.478 1.00 72.13 C ATOM 742 NH1 ARG A 52 6.273 -5.687 -13.326 1.00 41.42 N ATOM 743 NH2 ARG A 52 7.243 -6.405 -11.373 1.00 1.43 N ATOM 0 H ARG A 52 3.835 -5.704 -17.078 1.00 44.13 H new ATOM 0 HA ARG A 52 4.213 -8.508 -16.217 1.00 55.53 H new ATOM 0 HB2 ARG A 52 3.912 -6.109 -14.772 1.00 30.40 H new ATOM 0 HB3 ARG A 52 2.335 -6.868 -14.684 1.00 30.40 H new ATOM 0 HG2 ARG A 52 3.720 -7.544 -12.782 1.00 14.12 H new ATOM 0 HG3 ARG A 52 3.345 -8.930 -13.787 1.00 14.12 H new ATOM 0 HD2 ARG A 52 5.532 -9.341 -14.121 1.00 62.22 H new ATOM 0 HD3 ARG A 52 5.770 -7.735 -14.781 1.00 62.22 H new ATOM 0 HE ARG A 52 6.380 -8.635 -12.055 1.00 24.23 H new ATOM 0 HH11 ARG A 52 5.743 -5.884 -14.175 1.00 41.42 H new ATOM 0 HH12 ARG A 52 6.587 -4.737 -13.129 1.00 41.42 H new ATOM 0 HH21 ARG A 52 7.460 -7.156 -10.717 1.00 1.43 H new ATOM 0 HH22 ARG A 52 7.555 -5.453 -11.180 1.00 1.43 H new ATOM 757 N VAL A 53 1.951 -9.315 -16.863 1.00 74.01 N ATOM 758 CA VAL A 53 0.692 -9.823 -17.394 1.00 24.14 C ATOM 759 C VAL A 53 -0.179 -10.402 -16.285 1.00 23.04 C ATOM 760 O VAL A 53 -0.262 -11.616 -16.097 1.00 40.02 O ATOM 761 CB VAL A 53 0.931 -10.906 -18.463 1.00 75.22 C ATOM 762 CG1 VAL A 53 -0.350 -11.187 -19.235 1.00 72.12 C ATOM 763 CG2 VAL A 53 2.049 -10.486 -19.405 1.00 2.11 C ATOM 0 H VAL A 53 2.582 -10.036 -16.513 1.00 74.01 H new ATOM 0 HA VAL A 53 0.177 -8.978 -17.852 1.00 24.14 H new ATOM 0 HB VAL A 53 1.234 -11.826 -17.962 1.00 75.22 H new ATOM 0 HG11 VAL A 53 -0.162 -11.955 -19.986 1.00 72.12 H new ATOM 0 HG12 VAL A 53 -1.121 -11.534 -18.547 1.00 72.12 H new ATOM 0 HG13 VAL A 53 -0.686 -10.274 -19.726 1.00 72.12 H new ATOM 0 HG21 VAL A 53 2.205 -11.263 -20.154 1.00 2.11 H new ATOM 0 HG22 VAL A 53 1.777 -9.554 -19.900 1.00 2.11 H new ATOM 0 HG23 VAL A 53 2.968 -10.340 -18.837 1.00 2.11 H new ATOM 773 N PRO A 54 -0.846 -9.515 -15.533 1.00 63.20 N ATOM 774 CA PRO A 54 -1.724 -9.915 -14.429 1.00 50.50 C ATOM 775 C PRO A 54 -2.995 -10.602 -14.920 1.00 73.43 C ATOM 776 O PRO A 54 -3.431 -10.387 -16.050 1.00 1.33 O ATOM 777 CB PRO A 54 -2.064 -8.587 -13.747 1.00 5.30 C ATOM 778 CG PRO A 54 -1.905 -7.561 -14.814 1.00 73.41 C ATOM 779 CD PRO A 54 -0.795 -8.054 -15.701 1.00 74.52 C ATOM 0 HA PRO A 54 -1.246 -10.639 -13.769 1.00 50.50 H new ATOM 0 HB2 PRO A 54 -3.080 -8.593 -13.352 1.00 5.30 H new ATOM 0 HB3 PRO A 54 -1.397 -8.391 -12.907 1.00 5.30 H new ATOM 0 HG2 PRO A 54 -2.830 -7.438 -15.378 1.00 73.41 H new ATOM 0 HG3 PRO A 54 -1.660 -6.588 -14.387 1.00 73.41 H new ATOM 0 HD2 PRO A 54 -0.952 -7.763 -16.740 1.00 74.52 H new ATOM 0 HD3 PRO A 54 0.171 -7.648 -15.399 1.00 74.52 H new ATOM 787 N CYS A 55 -3.585 -11.427 -14.061 1.00 32.53 N ATOM 788 CA CYS A 55 -4.806 -12.144 -14.407 1.00 65.35 C ATOM 789 C CYS A 55 -6.035 -11.274 -14.169 1.00 74.32 C ATOM 790 O CYS A 55 -6.289 -10.833 -13.049 1.00 32.14 O ATOM 791 CB CYS A 55 -4.914 -13.432 -13.587 1.00 60.41 C ATOM 792 SG CYS A 55 -3.323 -14.281 -13.322 1.00 55.21 S ATOM 0 H CYS A 55 -3.237 -11.615 -13.121 1.00 32.53 H new ATOM 0 HA CYS A 55 -4.761 -12.396 -15.466 1.00 65.35 H new ATOM 0 HB2 CYS A 55 -5.354 -13.197 -12.618 1.00 60.41 H new ATOM 0 HB3 CYS A 55 -5.598 -14.115 -14.091 1.00 60.41 H new ATOM 798 N ASN A 56 -6.796 -11.029 -15.233 1.00 63.50 N ATOM 799 CA ASN A 56 -7.998 -10.209 -15.140 1.00 1.53 C ATOM 800 C ASN A 56 -7.655 -8.787 -14.713 1.00 34.31 C ATOM 801 O ASN A 56 -8.514 -8.049 -14.231 1.00 51.22 O ATOM 802 CB ASN A 56 -8.986 -10.828 -14.149 1.00 15.11 C ATOM 803 CG ASN A 56 -10.415 -10.391 -14.409 1.00 15.42 C ATOM 804 OD1 ASN A 56 -10.900 -9.430 -13.814 1.00 62.34 O ATOM 805 ND2 ASN A 56 -11.096 -11.098 -15.303 1.00 4.13 N ATOM 0 H ASN A 56 -6.601 -11.387 -16.168 1.00 63.50 H new ATOM 0 HA ASN A 56 -8.459 -10.170 -16.127 1.00 1.53 H new ATOM 0 HB2 ASN A 56 -8.924 -11.915 -14.209 1.00 15.11 H new ATOM 0 HB3 ASN A 56 -8.702 -10.548 -13.134 1.00 15.11 H new ATOM 0 HD21 ASN A 56 -12.062 -10.851 -15.520 1.00 4.13 H new ATOM 0 HD22 ASN A 56 -10.654 -11.888 -15.773 1.00 4.13 H new ATOM 812 N TRP A 57 -6.395 -8.407 -14.895 1.00 65.14 N ATOM 813 CA TRP A 57 -5.939 -7.071 -14.529 1.00 11.01 C ATOM 814 C TRP A 57 -6.325 -6.739 -13.091 1.00 54.32 C ATOM 815 O TRP A 57 -7.329 -6.069 -12.847 1.00 33.00 O ATOM 816 CB TRP A 57 -6.527 -6.029 -15.481 1.00 11.11 C ATOM 817 CG TRP A 57 -5.684 -5.791 -16.697 1.00 24.32 C ATOM 818 CD1 TRP A 57 -4.357 -5.465 -16.723 1.00 25.21 C ATOM 819 CD2 TRP A 57 -6.107 -5.862 -18.063 1.00 74.44 C ATOM 820 NE1 TRP A 57 -3.932 -5.326 -18.022 1.00 4.04 N ATOM 821 CE2 TRP A 57 -4.986 -5.566 -18.863 1.00 54.34 C ATOM 822 CE3 TRP A 57 -7.325 -6.146 -18.687 1.00 20.31 C ATOM 823 CZ2 TRP A 57 -5.050 -5.546 -20.253 1.00 75.11 C ATOM 824 CZ3 TRP A 57 -7.386 -6.126 -20.068 1.00 65.42 C ATOM 825 CH2 TRP A 57 -6.254 -5.828 -20.839 1.00 64.12 C ATOM 0 H TRP A 57 -5.671 -9.005 -15.294 1.00 65.14 H new ATOM 0 HA TRP A 57 -4.852 -7.052 -14.608 1.00 11.01 H new ATOM 0 HB2 TRP A 57 -7.520 -6.353 -15.794 1.00 11.11 H new ATOM 0 HB3 TRP A 57 -6.653 -5.088 -14.945 1.00 11.11 H new ATOM 0 HD1 TRP A 57 -3.734 -5.336 -15.850 1.00 25.21 H new ATOM 0 HE1 TRP A 57 -2.985 -5.083 -18.313 1.00 4.04 H new ATOM 0 HE3 TRP A 57 -8.202 -6.377 -18.101 1.00 20.31 H new ATOM 0 HZ2 TRP A 57 -4.179 -5.316 -20.849 1.00 75.11 H new ATOM 0 HZ3 TRP A 57 -8.322 -6.344 -20.561 1.00 65.42 H new ATOM 0 HH2 TRP A 57 -6.334 -5.821 -21.916 1.00 64.12 H new ATOM 836 N LYS A 58 -5.523 -7.211 -12.143 1.00 23.55 N ATOM 837 CA LYS A 58 -5.779 -6.962 -10.729 1.00 3.44 C ATOM 838 C LYS A 58 -4.594 -6.259 -10.077 1.00 45.24 C ATOM 839 O LYS A 58 -3.511 -6.177 -10.658 1.00 45.14 O ATOM 840 CB LYS A 58 -6.067 -8.279 -10.004 1.00 2.11 C ATOM 841 CG LYS A 58 -7.546 -8.611 -9.909 1.00 54.20 C ATOM 842 CD LYS A 58 -8.251 -7.730 -8.892 1.00 2.23 C ATOM 843 CE LYS A 58 -9.477 -8.420 -8.313 1.00 54.24 C ATOM 844 NZ LYS A 58 -9.194 -9.032 -6.985 1.00 41.31 N ATOM 0 H LYS A 58 -4.689 -7.769 -12.328 1.00 23.55 H new ATOM 0 HA LYS A 58 -6.651 -6.312 -10.651 1.00 3.44 H new ATOM 0 HB2 LYS A 58 -5.554 -9.089 -10.523 1.00 2.11 H new ATOM 0 HB3 LYS A 58 -5.649 -8.229 -8.998 1.00 2.11 H new ATOM 0 HG2 LYS A 58 -8.012 -8.484 -10.886 1.00 54.20 H new ATOM 0 HG3 LYS A 58 -7.668 -9.658 -9.631 1.00 54.20 H new ATOM 0 HD2 LYS A 58 -7.561 -7.477 -8.087 1.00 2.23 H new ATOM 0 HD3 LYS A 58 -8.548 -6.793 -9.364 1.00 2.23 H new ATOM 0 HE2 LYS A 58 -10.288 -7.698 -8.215 1.00 54.24 H new ATOM 0 HE3 LYS A 58 -9.819 -9.191 -9.003 1.00 54.24 H new ATOM 0 HZ1 LYS A 58 -10.054 -9.492 -6.624 1.00 41.31 H new ATOM 0 HZ2 LYS A 58 -8.438 -9.739 -7.083 1.00 41.31 H new ATOM 0 HZ3 LYS A 58 -8.892 -8.292 -6.319 1.00 41.31 H new ATOM 858 N LYS A 59 -4.805 -5.755 -8.866 1.00 33.21 N ATOM 859 CA LYS A 59 -3.754 -5.060 -8.133 1.00 63.45 C ATOM 860 C LYS A 59 -2.487 -5.908 -8.063 1.00 1.14 C ATOM 861 O LYS A 59 -2.553 -7.136 -8.036 1.00 63.10 O ATOM 862 CB LYS A 59 -4.230 -4.718 -6.718 1.00 22.01 C ATOM 863 CG LYS A 59 -3.700 -3.392 -6.201 1.00 14.34 C ATOM 864 CD LYS A 59 -4.674 -2.259 -6.476 1.00 55.10 C ATOM 865 CE LYS A 59 -4.043 -0.903 -6.204 1.00 75.33 C ATOM 866 NZ LYS A 59 -4.748 0.193 -6.924 1.00 60.32 N ATOM 0 H LYS A 59 -5.695 -5.815 -8.371 1.00 33.21 H new ATOM 0 HA LYS A 59 -3.524 -4.137 -8.666 1.00 63.45 H new ATOM 0 HB2 LYS A 59 -5.320 -4.693 -6.707 1.00 22.01 H new ATOM 0 HB3 LYS A 59 -3.922 -5.513 -6.038 1.00 22.01 H new ATOM 0 HG2 LYS A 59 -3.518 -3.465 -5.129 1.00 14.34 H new ATOM 0 HG3 LYS A 59 -2.742 -3.173 -6.673 1.00 14.34 H new ATOM 0 HD2 LYS A 59 -5.005 -2.306 -7.514 1.00 55.10 H new ATOM 0 HD3 LYS A 59 -5.560 -2.381 -5.853 1.00 55.10 H new ATOM 0 HE2 LYS A 59 -4.060 -0.703 -5.133 1.00 75.33 H new ATOM 0 HE3 LYS A 59 -2.996 -0.922 -6.508 1.00 75.33 H new ATOM 0 HZ1 LYS A 59 -4.287 1.101 -6.712 1.00 60.32 H new ATOM 0 HZ2 LYS A 59 -4.710 0.016 -7.948 1.00 60.32 H new ATOM 0 HZ3 LYS A 59 -5.741 0.229 -6.616 1.00 60.32 H new ATOM 880 N GLU A 60 -1.336 -5.243 -8.033 1.00 52.24 N ATOM 881 CA GLU A 60 -0.056 -5.936 -7.965 1.00 23.22 C ATOM 882 C GLU A 60 0.941 -5.158 -7.111 1.00 21.13 C ATOM 883 O GLU A 60 0.733 -3.983 -6.814 1.00 74.54 O ATOM 884 CB GLU A 60 0.511 -6.143 -9.372 1.00 64.51 C ATOM 885 CG GLU A 60 0.147 -7.485 -9.984 1.00 22.41 C ATOM 886 CD GLU A 60 1.290 -8.480 -9.928 1.00 2.34 C ATOM 887 OE1 GLU A 60 2.372 -8.176 -10.472 1.00 34.22 O ATOM 888 OE2 GLU A 60 1.102 -9.566 -9.338 1.00 3.25 O ATOM 0 H GLU A 60 -1.265 -4.226 -8.055 1.00 52.24 H new ATOM 0 HA GLU A 60 -0.222 -6.908 -7.501 1.00 23.22 H new ATOM 0 HB2 GLU A 60 0.148 -5.347 -10.022 1.00 64.51 H new ATOM 0 HB3 GLU A 60 1.597 -6.053 -9.334 1.00 64.51 H new ATOM 0 HG2 GLU A 60 -0.715 -7.897 -9.460 1.00 22.41 H new ATOM 0 HG3 GLU A 60 -0.151 -7.338 -11.022 1.00 22.41 H new ATOM 895 N PHE A 61 2.024 -5.823 -6.723 1.00 43.42 N ATOM 896 CA PHE A 61 3.053 -5.195 -5.902 1.00 42.03 C ATOM 897 C PHE A 61 4.447 -5.606 -6.368 1.00 40.34 C ATOM 898 O PHE A 61 4.630 -6.680 -6.940 1.00 54.42 O ATOM 899 CB PHE A 61 2.861 -5.572 -4.431 1.00 35.24 C ATOM 900 CG PHE A 61 3.234 -4.473 -3.477 1.00 40.24 C ATOM 901 CD1 PHE A 61 2.333 -3.465 -3.177 1.00 75.43 C ATOM 902 CD2 PHE A 61 4.485 -4.448 -2.882 1.00 4.43 C ATOM 903 CE1 PHE A 61 2.674 -2.451 -2.299 1.00 43.41 C ATOM 904 CE2 PHE A 61 4.831 -3.438 -2.004 1.00 2.51 C ATOM 905 CZ PHE A 61 3.923 -2.439 -1.711 1.00 32.23 C ATOM 0 H PHE A 61 2.212 -6.796 -6.964 1.00 43.42 H new ATOM 0 HA PHE A 61 2.959 -4.114 -6.008 1.00 42.03 H new ATOM 0 HB2 PHE A 61 1.819 -5.846 -4.267 1.00 35.24 H new ATOM 0 HB3 PHE A 61 3.461 -6.454 -4.209 1.00 35.24 H new ATOM 0 HD1 PHE A 61 1.354 -3.470 -3.633 1.00 75.43 H new ATOM 0 HD2 PHE A 61 5.198 -5.227 -3.107 1.00 4.43 H new ATOM 0 HE1 PHE A 61 1.963 -1.669 -2.074 1.00 43.41 H new ATOM 0 HE2 PHE A 61 5.810 -3.430 -1.548 1.00 2.51 H new ATOM 0 HZ PHE A 61 4.190 -1.650 -1.023 1.00 32.23 H new ATOM 915 N GLY A 62 5.426 -4.743 -6.117 1.00 11.23 N ATOM 916 CA GLY A 62 6.790 -5.033 -6.519 1.00 21.13 C ATOM 917 C GLY A 62 7.807 -4.555 -5.502 1.00 72.40 C ATOM 918 O GLY A 62 7.446 -3.969 -4.482 1.00 63.14 O ATOM 0 H GLY A 62 5.299 -3.849 -5.643 1.00 11.23 H new ATOM 0 HA2 GLY A 62 6.902 -6.108 -6.664 1.00 21.13 H new ATOM 0 HA3 GLY A 62 6.991 -4.559 -7.480 1.00 21.13 H new ATOM 922 N ALA A 63 9.082 -4.805 -5.779 1.00 35.24 N ATOM 923 CA ALA A 63 10.155 -4.395 -4.881 1.00 1.22 C ATOM 924 C ALA A 63 11.510 -4.466 -5.577 1.00 60.32 C ATOM 925 O ALA A 63 12.301 -3.524 -5.513 1.00 14.53 O ATOM 926 CB ALA A 63 10.156 -5.262 -3.630 1.00 12.11 C ATOM 0 H ALA A 63 9.398 -5.290 -6.619 1.00 35.24 H new ATOM 0 HA ALA A 63 9.978 -3.359 -4.592 1.00 1.22 H new ATOM 0 HB1 ALA A 63 10.962 -4.945 -2.968 1.00 12.11 H new ATOM 0 HB2 ALA A 63 9.201 -5.158 -3.114 1.00 12.11 H new ATOM 0 HB3 ALA A 63 10.305 -6.305 -3.910 1.00 12.11 H new ATOM 932 N ASP A 64 11.774 -5.587 -6.238 1.00 52.52 N ATOM 933 CA ASP A 64 13.034 -5.781 -6.945 1.00 34.41 C ATOM 934 C ASP A 64 13.021 -5.050 -8.285 1.00 24.30 C ATOM 935 O ASP A 64 12.132 -5.259 -9.110 1.00 11.13 O ATOM 936 CB ASP A 64 13.297 -7.272 -7.164 1.00 11.13 C ATOM 937 CG ASP A 64 14.772 -7.580 -7.335 1.00 73.45 C ATOM 938 OD1 ASP A 64 15.580 -6.629 -7.339 1.00 15.41 O ATOM 939 OD2 ASP A 64 15.117 -8.773 -7.464 1.00 73.22 O ATOM 0 H ASP A 64 11.131 -6.377 -6.299 1.00 52.52 H new ATOM 0 HA ASP A 64 13.835 -5.367 -6.333 1.00 34.41 H new ATOM 0 HB2 ASP A 64 12.907 -7.835 -6.316 1.00 11.13 H new ATOM 0 HB3 ASP A 64 12.754 -7.608 -8.047 1.00 11.13 H new ATOM 944 N CYS A 65 14.016 -4.194 -8.495 1.00 12.24 N ATOM 945 CA CYS A 65 14.120 -3.432 -9.733 1.00 24.00 C ATOM 946 C CYS A 65 15.317 -3.896 -10.559 1.00 54.00 C ATOM 947 O CYS A 65 16.247 -4.510 -10.035 1.00 52.33 O ATOM 948 CB CYS A 65 14.245 -1.938 -9.428 1.00 13.23 C ATOM 949 SG CYS A 65 15.857 -1.454 -8.730 1.00 54.51 S ATOM 0 H CYS A 65 14.762 -4.011 -7.823 1.00 12.24 H new ATOM 0 HA CYS A 65 13.213 -3.603 -10.313 1.00 24.00 H new ATOM 0 HB2 CYS A 65 14.075 -1.375 -10.346 1.00 13.23 H new ATOM 0 HB3 CYS A 65 13.458 -1.654 -8.729 1.00 13.23 H new ATOM 955 N LYS A 66 15.288 -3.596 -11.853 1.00 42.33 N ATOM 956 CA LYS A 66 16.368 -3.980 -12.752 1.00 23.43 C ATOM 957 C LYS A 66 17.514 -2.975 -12.685 1.00 31.50 C ATOM 958 O LYS A 66 17.325 -1.785 -12.944 1.00 45.34 O ATOM 959 CB LYS A 66 15.853 -4.087 -14.188 1.00 43.40 C ATOM 960 CG LYS A 66 16.053 -5.461 -14.806 1.00 43.32 C ATOM 961 CD LYS A 66 17.514 -5.876 -14.780 1.00 13.23 C ATOM 962 CE LYS A 66 17.736 -7.081 -13.877 1.00 55.53 C ATOM 963 NZ LYS A 66 17.577 -8.363 -14.615 1.00 33.34 N ATOM 0 H LYS A 66 14.527 -3.087 -12.302 1.00 42.33 H new ATOM 0 HA LYS A 66 16.742 -4.954 -12.435 1.00 23.43 H new ATOM 0 HB2 LYS A 66 14.791 -3.842 -14.203 1.00 43.40 H new ATOM 0 HB3 LYS A 66 16.360 -3.344 -14.803 1.00 43.40 H new ATOM 0 HG2 LYS A 66 15.456 -6.195 -14.265 1.00 43.32 H new ATOM 0 HG3 LYS A 66 15.694 -5.454 -15.835 1.00 43.32 H new ATOM 0 HD2 LYS A 66 17.844 -6.112 -15.792 1.00 13.23 H new ATOM 0 HD3 LYS A 66 18.124 -5.042 -14.432 1.00 13.23 H new ATOM 0 HE2 LYS A 66 18.736 -7.032 -13.445 1.00 55.53 H new ATOM 0 HE3 LYS A 66 17.029 -7.049 -13.048 1.00 55.53 H new ATOM 0 HZ1 LYS A 66 17.736 -9.160 -13.965 1.00 33.34 H new ATOM 0 HZ2 LYS A 66 16.615 -8.422 -15.006 1.00 33.34 H new ATOM 0 HZ3 LYS A 66 18.269 -8.405 -15.390 1.00 33.34 H new ATOM 977 N TYR A 67 18.701 -3.460 -12.341 1.00 30.41 N ATOM 978 CA TYR A 67 19.878 -2.603 -12.240 1.00 10.32 C ATOM 979 C TYR A 67 20.698 -2.651 -13.526 1.00 42.01 C ATOM 980 O TYR A 67 20.492 -3.515 -14.376 1.00 2.42 O ATOM 981 CB TYR A 67 20.742 -3.026 -11.051 1.00 35.24 C ATOM 982 CG TYR A 67 20.294 -2.435 -9.735 1.00 32.02 C ATOM 983 CD1 TYR A 67 20.785 -1.212 -9.297 1.00 63.54 C ATOM 984 CD2 TYR A 67 19.378 -3.100 -8.929 1.00 42.31 C ATOM 985 CE1 TYR A 67 20.379 -0.667 -8.093 1.00 3.41 C ATOM 986 CE2 TYR A 67 18.965 -2.563 -7.726 1.00 44.33 C ATOM 987 CZ TYR A 67 19.467 -1.347 -7.311 1.00 41.20 C ATOM 988 OH TYR A 67 19.059 -0.811 -6.112 1.00 33.11 O ATOM 0 H TYR A 67 18.875 -4.442 -12.127 1.00 30.41 H new ATOM 0 HA TYR A 67 19.539 -1.578 -12.086 1.00 10.32 H new ATOM 0 HB2 TYR A 67 20.731 -4.113 -10.974 1.00 35.24 H new ATOM 0 HB3 TYR A 67 21.774 -2.730 -11.240 1.00 35.24 H new ATOM 0 HD1 TYR A 67 21.497 -0.677 -9.908 1.00 63.54 H new ATOM 0 HD2 TYR A 67 18.983 -4.053 -9.249 1.00 42.31 H new ATOM 0 HE1 TYR A 67 20.773 0.284 -7.767 1.00 3.41 H new ATOM 0 HE2 TYR A 67 18.252 -3.093 -7.112 1.00 44.33 H new ATOM 0 HH TYR A 67 18.415 -1.414 -5.686 1.00 33.11 H new ATOM 998 N LYS A 68 21.632 -1.716 -13.658 1.00 34.21 N ATOM 999 CA LYS A 68 22.489 -1.651 -14.837 1.00 1.51 C ATOM 1000 C LYS A 68 23.868 -2.230 -14.540 1.00 74.41 C ATOM 1001 O LYS A 68 24.735 -1.546 -13.994 1.00 13.12 O ATOM 1002 CB LYS A 68 22.623 -0.203 -15.315 1.00 13.15 C ATOM 1003 CG LYS A 68 23.328 -0.068 -16.654 1.00 44.12 C ATOM 1004 CD LYS A 68 22.335 -0.027 -17.804 1.00 20.23 C ATOM 1005 CE LYS A 68 22.988 0.468 -19.086 1.00 65.54 C ATOM 1006 NZ LYS A 68 23.566 -0.650 -19.882 1.00 33.22 N ATOM 0 H LYS A 68 21.815 -0.992 -12.963 1.00 34.21 H new ATOM 0 HA LYS A 68 22.027 -2.246 -15.625 1.00 1.51 H new ATOM 0 HB2 LYS A 68 21.630 0.239 -15.390 1.00 13.15 H new ATOM 0 HB3 LYS A 68 23.171 0.369 -14.566 1.00 13.15 H new ATOM 0 HG2 LYS A 68 23.930 0.840 -16.659 1.00 44.12 H new ATOM 0 HG3 LYS A 68 24.012 -0.905 -16.792 1.00 44.12 H new ATOM 0 HD2 LYS A 68 21.922 -1.023 -17.966 1.00 20.23 H new ATOM 0 HD3 LYS A 68 21.501 0.625 -17.543 1.00 20.23 H new ATOM 0 HE2 LYS A 68 22.250 0.999 -19.688 1.00 65.54 H new ATOM 0 HE3 LYS A 68 23.773 1.183 -18.841 1.00 65.54 H new ATOM 0 HZ1 LYS A 68 24.001 -0.271 -20.747 1.00 33.22 H new ATOM 0 HZ2 LYS A 68 24.288 -1.141 -19.317 1.00 33.22 H new ATOM 0 HZ3 LYS A 68 22.813 -1.320 -20.138 1.00 33.22 H new ATOM 1020 N PHE A 69 24.066 -3.492 -14.905 1.00 65.21 N ATOM 1021 CA PHE A 69 25.341 -4.163 -14.678 1.00 60.10 C ATOM 1022 C PHE A 69 26.283 -3.952 -15.859 1.00 20.23 C ATOM 1023 O PHE A 69 25.899 -4.130 -17.014 1.00 64.53 O ATOM 1024 CB PHE A 69 25.120 -5.660 -14.446 1.00 35.44 C ATOM 1025 CG PHE A 69 24.452 -5.973 -13.139 1.00 73.42 C ATOM 1026 CD1 PHE A 69 24.835 -5.323 -11.977 1.00 14.10 C ATOM 1027 CD2 PHE A 69 23.440 -6.915 -13.072 1.00 43.50 C ATOM 1028 CE1 PHE A 69 24.222 -5.608 -10.772 1.00 35.20 C ATOM 1029 CE2 PHE A 69 22.823 -7.205 -11.869 1.00 42.42 C ATOM 1030 CZ PHE A 69 23.215 -6.551 -10.717 1.00 2.11 C ATOM 0 H PHE A 69 23.360 -4.071 -15.359 1.00 65.21 H new ATOM 0 HA PHE A 69 25.799 -3.730 -13.789 1.00 60.10 H new ATOM 0 HB2 PHE A 69 24.514 -6.060 -15.259 1.00 35.44 H new ATOM 0 HB3 PHE A 69 26.082 -6.171 -14.484 1.00 35.44 H new ATOM 0 HD1 PHE A 69 25.622 -4.585 -12.014 1.00 14.10 H new ATOM 0 HD2 PHE A 69 23.129 -7.429 -13.969 1.00 43.50 H new ATOM 0 HE1 PHE A 69 24.530 -5.094 -9.874 1.00 35.20 H new ATOM 0 HE2 PHE A 69 22.035 -7.942 -11.830 1.00 42.42 H new ATOM 0 HZ PHE A 69 22.735 -6.777 -9.776 1.00 2.11 H new ATOM 1040 N GLY A 70 27.522 -3.571 -15.559 1.00 5.42 N ATOM 1041 CA GLY A 70 28.501 -3.342 -16.606 1.00 52.31 C ATOM 1042 C GLY A 70 29.163 -4.624 -17.072 1.00 32.14 C ATOM 1043 O GLY A 70 29.050 -5.001 -18.237 1.00 74.33 O ATOM 0 H GLY A 70 27.864 -3.417 -14.611 1.00 5.42 H new ATOM 0 HA2 GLY A 70 28.015 -2.859 -17.454 1.00 52.31 H new ATOM 0 HA3 GLY A 70 29.264 -2.654 -16.241 1.00 52.31 H new ATOM 1047 N ASN A 71 29.859 -5.294 -16.159 1.00 64.03 N ATOM 1048 CA ASN A 71 30.544 -6.540 -16.482 1.00 52.40 C ATOM 1049 C ASN A 71 31.265 -7.098 -15.259 1.00 12.52 C ATOM 1050 O ASN A 71 32.085 -6.417 -14.646 1.00 25.44 O ATOM 1051 CB ASN A 71 31.543 -6.316 -17.619 1.00 23.33 C ATOM 1052 CG ASN A 71 31.375 -7.320 -18.743 1.00 0.52 C ATOM 1053 OD1 ASN A 71 32.333 -7.978 -19.152 1.00 73.02 O ATOM 1054 ND2 ASN A 71 30.154 -7.443 -19.249 1.00 42.24 N ATOM 0 H ASN A 71 29.963 -4.995 -15.190 1.00 64.03 H new ATOM 0 HA ASN A 71 29.795 -7.265 -16.802 1.00 52.40 H new ATOM 0 HB2 ASN A 71 31.419 -5.308 -18.015 1.00 23.33 H new ATOM 0 HB3 ASN A 71 32.557 -6.381 -17.226 1.00 23.33 H new ATOM 0 HD21 ASN A 71 29.980 -8.103 -20.007 1.00 42.24 H new ATOM 0 HD22 ASN A 71 29.390 -6.878 -18.880 1.00 42.24 H new ATOM 1061 N TRP A 72 30.952 -8.342 -14.911 1.00 13.32 N ATOM 1062 CA TRP A 72 31.570 -8.992 -13.762 1.00 51.02 C ATOM 1063 C TRP A 72 33.089 -8.898 -13.836 1.00 70.30 C ATOM 1064 O TRP A 72 33.681 -9.068 -14.901 1.00 1.54 O ATOM 1065 CB TRP A 72 31.141 -10.458 -13.688 1.00 50.03 C ATOM 1066 CG TRP A 72 29.653 -10.640 -13.655 1.00 10.32 C ATOM 1067 CD1 TRP A 72 28.818 -10.767 -14.729 1.00 24.42 C ATOM 1068 CD2 TRP A 72 28.823 -10.712 -12.491 1.00 64.34 C ATOM 1069 NE1 TRP A 72 27.522 -10.915 -14.302 1.00 61.01 N ATOM 1070 CE2 TRP A 72 27.497 -10.885 -12.933 1.00 22.34 C ATOM 1071 CE3 TRP A 72 29.071 -10.650 -11.116 1.00 32.04 C ATOM 1072 CZ2 TRP A 72 26.426 -10.994 -12.051 1.00 11.01 C ATOM 1073 CZ3 TRP A 72 28.007 -10.758 -10.242 1.00 21.21 C ATOM 1074 CH2 TRP A 72 26.698 -10.930 -10.710 1.00 31.44 C ATOM 0 H TRP A 72 30.274 -8.920 -15.408 1.00 13.32 H new ATOM 0 HA TRP A 72 31.236 -8.477 -12.861 1.00 51.02 H new ATOM 0 HB2 TRP A 72 31.546 -10.992 -14.548 1.00 50.03 H new ATOM 0 HB3 TRP A 72 31.575 -10.912 -12.797 1.00 50.03 H new ATOM 0 HD1 TRP A 72 29.132 -10.753 -15.762 1.00 24.42 H new ATOM 0 HE1 TRP A 72 26.709 -11.029 -14.907 1.00 61.01 H new ATOM 0 HE3 TRP A 72 30.077 -10.520 -10.744 1.00 32.04 H new ATOM 0 HZ2 TRP A 72 25.416 -11.124 -12.411 1.00 11.01 H new ATOM 0 HZ3 TRP A 72 28.188 -10.709 -9.178 1.00 21.21 H new ATOM 0 HH2 TRP A 72 25.888 -11.014 -10.000 1.00 31.44 H new ATOM 1085 N GLY A 73 33.718 -8.627 -12.697 1.00 72.10 N ATOM 1086 CA GLY A 73 35.165 -8.516 -12.654 1.00 14.43 C ATOM 1087 C GLY A 73 35.857 -9.815 -13.019 1.00 34.22 C ATOM 1088 O GLY A 73 35.253 -10.697 -13.626 1.00 3.23 O ATOM 0 H GLY A 73 33.251 -8.482 -11.802 1.00 72.10 H new ATOM 0 HA2 GLY A 73 35.487 -7.732 -13.339 1.00 14.43 H new ATOM 0 HA3 GLY A 73 35.474 -8.212 -11.654 1.00 14.43 H new ATOM 1092 N GLU A 74 37.128 -9.930 -12.647 1.00 73.20 N ATOM 1093 CA GLU A 74 37.903 -11.130 -12.940 1.00 0.24 C ATOM 1094 C GLU A 74 37.577 -12.243 -11.950 1.00 24.43 C ATOM 1095 O GLU A 74 37.454 -12.005 -10.748 1.00 41.04 O ATOM 1096 CB GLU A 74 39.401 -10.819 -12.901 1.00 43.51 C ATOM 1097 CG GLU A 74 39.910 -10.449 -11.518 1.00 42.41 C ATOM 1098 CD GLU A 74 40.723 -11.558 -10.880 1.00 64.12 C ATOM 1099 OE1 GLU A 74 40.432 -12.740 -11.153 1.00 63.34 O ATOM 1100 OE2 GLU A 74 41.653 -11.241 -10.110 1.00 63.15 O ATOM 0 H GLU A 74 37.642 -9.208 -12.143 1.00 73.20 H new ATOM 0 HA GLU A 74 37.636 -11.469 -13.941 1.00 0.24 H new ATOM 0 HB2 GLU A 74 39.953 -11.687 -13.262 1.00 43.51 H new ATOM 0 HB3 GLU A 74 39.611 -9.999 -13.588 1.00 43.51 H new ATOM 0 HG2 GLU A 74 40.522 -9.550 -11.589 1.00 42.41 H new ATOM 0 HG3 GLU A 74 39.063 -10.209 -10.875 1.00 42.41 H new ATOM 1107 N CYS A 75 37.438 -13.462 -12.462 1.00 2.13 N ATOM 1108 CA CYS A 75 37.125 -14.614 -11.625 1.00 22.43 C ATOM 1109 C CYS A 75 38.390 -15.179 -10.986 1.00 24.12 C ATOM 1110 O CYS A 75 39.352 -15.514 -11.677 1.00 54.21 O ATOM 1111 CB CYS A 75 36.429 -15.697 -12.450 1.00 11.04 C ATOM 1112 SG CYS A 75 34.655 -15.392 -12.733 1.00 34.54 S ATOM 0 H CYS A 75 37.537 -13.677 -13.454 1.00 2.13 H new ATOM 0 HA CYS A 75 36.453 -14.285 -10.832 1.00 22.43 H new ATOM 0 HB2 CYS A 75 36.930 -15.783 -13.414 1.00 11.04 H new ATOM 0 HB3 CYS A 75 36.546 -16.655 -11.944 1.00 11.04 H new ATOM 1118 N ASP A 76 38.380 -15.286 -9.662 1.00 12.40 N ATOM 1119 CA ASP A 76 39.524 -15.814 -8.928 1.00 10.01 C ATOM 1120 C ASP A 76 39.295 -17.271 -8.537 1.00 33.22 C ATOM 1121 O ASP A 76 38.545 -17.564 -7.607 1.00 72.45 O ATOM 1122 CB ASP A 76 39.788 -14.973 -7.678 1.00 73.43 C ATOM 1123 CG ASP A 76 40.993 -14.067 -7.834 1.00 40.14 C ATOM 1124 OD1 ASP A 76 42.094 -14.586 -8.113 1.00 72.24 O ATOM 1125 OD2 ASP A 76 40.834 -12.838 -7.676 1.00 31.15 O ATOM 0 H ASP A 76 37.592 -15.014 -9.075 1.00 12.40 H new ATOM 0 HA ASP A 76 40.396 -15.765 -9.580 1.00 10.01 H new ATOM 0 HB2 ASP A 76 38.908 -14.368 -7.458 1.00 73.43 H new ATOM 0 HB3 ASP A 76 39.942 -15.634 -6.825 1.00 73.43 H new ATOM 1130 N ALA A 77 39.946 -18.180 -9.256 1.00 62.04 N ATOM 1131 CA ALA A 77 39.814 -19.606 -8.984 1.00 51.42 C ATOM 1132 C ALA A 77 40.377 -19.958 -7.613 1.00 60.34 C ATOM 1133 O ALA A 77 40.091 -21.023 -7.067 1.00 12.55 O ATOM 1134 CB ALA A 77 40.512 -20.416 -10.067 1.00 13.13 C ATOM 0 H ALA A 77 40.570 -17.954 -10.031 1.00 62.04 H new ATOM 0 HA ALA A 77 38.753 -19.854 -8.986 1.00 51.42 H new ATOM 0 HB1 ALA A 77 40.406 -21.479 -9.852 1.00 13.13 H new ATOM 0 HB2 ALA A 77 40.061 -20.195 -11.034 1.00 13.13 H new ATOM 0 HB3 ALA A 77 41.570 -20.155 -10.092 1.00 13.13 H new ATOM 1140 N ALA A 78 41.181 -19.055 -7.058 1.00 14.12 N ATOM 1141 CA ALA A 78 41.783 -19.271 -5.748 1.00 12.23 C ATOM 1142 C ALA A 78 40.743 -19.155 -4.640 1.00 13.21 C ATOM 1143 O ALA A 78 40.827 -19.839 -3.620 1.00 25.33 O ATOM 1144 CB ALA A 78 42.914 -18.279 -5.519 1.00 21.12 C ATOM 0 H ALA A 78 41.430 -18.168 -7.496 1.00 14.12 H new ATOM 0 HA ALA A 78 42.189 -20.282 -5.724 1.00 12.23 H new ATOM 0 HB1 ALA A 78 43.355 -18.451 -4.537 1.00 21.12 H new ATOM 0 HB2 ALA A 78 43.676 -18.412 -6.287 1.00 21.12 H new ATOM 0 HB3 ALA A 78 42.522 -17.263 -5.568 1.00 21.12 H new ATOM 1150 N THR A 79 39.760 -18.284 -4.846 1.00 4.14 N ATOM 1151 CA THR A 79 38.703 -18.078 -3.864 1.00 72.01 C ATOM 1152 C THR A 79 37.384 -18.675 -4.340 1.00 23.34 C ATOM 1153 O THR A 79 36.472 -18.903 -3.546 1.00 71.32 O ATOM 1154 CB THR A 79 38.498 -16.580 -3.566 1.00 1.31 C ATOM 1155 OG1 THR A 79 37.518 -16.415 -2.535 1.00 65.44 O ATOM 1156 CG2 THR A 79 38.053 -15.835 -4.816 1.00 41.22 C ATOM 0 H THR A 79 39.674 -17.710 -5.685 1.00 4.14 H new ATOM 0 HA THR A 79 39.018 -18.584 -2.951 1.00 72.01 H new ATOM 0 HB THR A 79 39.450 -16.166 -3.233 1.00 1.31 H new ATOM 0 HG1 THR A 79 36.636 -16.284 -2.940 1.00 65.44 H new ATOM 0 HG21 THR A 79 37.915 -14.780 -4.581 1.00 41.22 H new ATOM 0 HG22 THR A 79 38.813 -15.938 -5.591 1.00 41.22 H new ATOM 0 HG23 THR A 79 37.112 -16.253 -5.173 1.00 41.22 H new ATOM 1164 N SER A 80 37.290 -18.927 -5.642 1.00 0.11 N ATOM 1165 CA SER A 80 36.081 -19.496 -6.225 1.00 2.32 C ATOM 1166 C SER A 80 34.903 -18.537 -6.074 1.00 4.41 C ATOM 1167 O SER A 80 33.748 -18.961 -6.004 1.00 31.15 O ATOM 1168 CB SER A 80 35.752 -20.836 -5.563 1.00 23.32 C ATOM 1169 OG SER A 80 36.928 -21.484 -5.113 1.00 62.14 O ATOM 0 H SER A 80 38.037 -18.746 -6.313 1.00 0.11 H new ATOM 0 HA SER A 80 36.261 -19.659 -7.288 1.00 2.32 H new ATOM 0 HB2 SER A 80 35.078 -20.674 -4.722 1.00 23.32 H new ATOM 0 HB3 SER A 80 35.228 -21.477 -6.272 1.00 23.32 H new ATOM 0 HG SER A 80 36.691 -22.337 -4.692 1.00 62.14 H new ATOM 1175 N THR A 81 35.203 -17.244 -6.024 1.00 53.12 N ATOM 1176 CA THR A 81 34.172 -16.225 -5.879 1.00 54.31 C ATOM 1177 C THR A 81 34.592 -14.919 -6.541 1.00 34.20 C ATOM 1178 O THR A 81 35.750 -14.508 -6.449 1.00 5.24 O ATOM 1179 CB THR A 81 33.850 -15.956 -4.397 1.00 15.41 C ATOM 1180 OG1 THR A 81 35.063 -15.824 -3.649 1.00 23.33 O ATOM 1181 CG2 THR A 81 33.009 -17.081 -3.813 1.00 2.30 C ATOM 0 H THR A 81 36.153 -16.877 -6.082 1.00 53.12 H new ATOM 0 HA THR A 81 33.279 -16.608 -6.373 1.00 54.31 H new ATOM 0 HB THR A 81 33.281 -15.028 -4.334 1.00 15.41 H new ATOM 0 HG1 THR A 81 34.850 -15.652 -2.708 1.00 23.33 H new ATOM 0 HG21 THR A 81 32.794 -16.869 -2.766 1.00 2.30 H new ATOM 0 HG22 THR A 81 32.073 -17.161 -4.366 1.00 2.30 H new ATOM 0 HG23 THR A 81 33.556 -18.021 -3.888 1.00 2.30 H new ATOM 1189 N LYS A 82 33.646 -14.267 -7.209 1.00 22.23 N ATOM 1190 CA LYS A 82 33.918 -13.004 -7.887 1.00 64.43 C ATOM 1191 C LYS A 82 33.014 -11.896 -7.355 1.00 3.53 C ATOM 1192 O LYS A 82 31.888 -12.153 -6.928 1.00 61.21 O ATOM 1193 CB LYS A 82 33.723 -13.159 -9.396 1.00 75.24 C ATOM 1194 CG LYS A 82 32.294 -13.487 -9.793 1.00 54.23 C ATOM 1195 CD LYS A 82 31.906 -12.805 -11.095 1.00 3.21 C ATOM 1196 CE LYS A 82 30.840 -13.593 -11.841 1.00 21.54 C ATOM 1197 NZ LYS A 82 31.159 -13.722 -13.290 1.00 60.13 N ATOM 0 H LYS A 82 32.683 -14.593 -7.296 1.00 22.23 H new ATOM 0 HA LYS A 82 34.954 -12.729 -7.689 1.00 64.43 H new ATOM 0 HB2 LYS A 82 34.026 -12.236 -9.890 1.00 75.24 H new ATOM 0 HB3 LYS A 82 34.383 -13.947 -9.760 1.00 75.24 H new ATOM 0 HG2 LYS A 82 32.184 -14.566 -9.900 1.00 54.23 H new ATOM 0 HG3 LYS A 82 31.614 -13.174 -9.001 1.00 54.23 H new ATOM 0 HD2 LYS A 82 31.538 -11.801 -10.885 1.00 3.21 H new ATOM 0 HD3 LYS A 82 32.788 -12.696 -11.726 1.00 3.21 H new ATOM 0 HE2 LYS A 82 30.746 -14.585 -11.400 1.00 21.54 H new ATOM 0 HE3 LYS A 82 29.875 -13.100 -11.724 1.00 21.54 H new ATOM 0 HZ1 LYS A 82 30.573 -13.058 -13.835 1.00 60.13 H new ATOM 0 HZ2 LYS A 82 32.164 -13.505 -13.445 1.00 60.13 H new ATOM 0 HZ3 LYS A 82 30.963 -14.694 -13.603 1.00 60.13 H new ATOM 1211 N SER A 83 33.512 -10.665 -7.387 1.00 10.11 N ATOM 1212 CA SER A 83 32.749 -9.519 -6.907 1.00 31.12 C ATOM 1213 C SER A 83 32.280 -8.652 -8.072 1.00 31.14 C ATOM 1214 O SER A 83 32.875 -8.667 -9.150 1.00 33.54 O ATOM 1215 CB SER A 83 33.594 -8.684 -5.944 1.00 73.42 C ATOM 1216 OG SER A 83 33.353 -9.059 -4.598 1.00 2.12 O ATOM 0 H SER A 83 34.441 -10.435 -7.740 1.00 10.11 H new ATOM 0 HA SER A 83 31.872 -9.893 -6.379 1.00 31.12 H new ATOM 0 HB2 SER A 83 34.651 -8.813 -6.177 1.00 73.42 H new ATOM 0 HB3 SER A 83 33.365 -7.627 -6.077 1.00 73.42 H new ATOM 0 HG SER A 83 33.906 -8.512 -4.002 1.00 2.12 H new ATOM 1222 N ARG A 84 31.211 -7.897 -7.847 1.00 53.20 N ATOM 1223 CA ARG A 84 30.660 -7.024 -8.877 1.00 64.44 C ATOM 1224 C ARG A 84 29.903 -5.856 -8.252 1.00 4.02 C ATOM 1225 O ARG A 84 29.405 -5.952 -7.130 1.00 44.20 O ATOM 1226 CB ARG A 84 29.730 -7.813 -9.800 1.00 15.32 C ATOM 1227 CG ARG A 84 28.965 -6.942 -10.783 1.00 31.45 C ATOM 1228 CD ARG A 84 29.898 -6.290 -11.792 1.00 75.24 C ATOM 1229 NE ARG A 84 29.404 -4.987 -12.232 1.00 44.34 N ATOM 1230 CZ ARG A 84 30.175 -4.054 -12.778 1.00 24.35 C ATOM 1231 NH1 ARG A 84 31.471 -4.280 -12.952 1.00 61.55 N ATOM 1232 NH2 ARG A 84 29.653 -2.895 -13.153 1.00 14.03 N ATOM 0 H ARG A 84 30.708 -7.872 -6.960 1.00 53.20 H new ATOM 0 HA ARG A 84 31.489 -6.626 -9.462 1.00 64.44 H new ATOM 0 HB2 ARG A 84 30.318 -8.543 -10.356 1.00 15.32 H new ATOM 0 HB3 ARG A 84 29.018 -8.372 -9.193 1.00 15.32 H new ATOM 0 HG2 ARG A 84 28.225 -7.547 -11.308 1.00 31.45 H new ATOM 0 HG3 ARG A 84 28.419 -6.171 -10.239 1.00 31.45 H new ATOM 0 HD2 ARG A 84 30.887 -6.172 -11.348 1.00 75.24 H new ATOM 0 HD3 ARG A 84 30.013 -6.945 -12.656 1.00 75.24 H new ATOM 0 HE ARG A 84 28.412 -4.783 -12.113 1.00 44.34 H new ATOM 0 HH11 ARG A 84 31.876 -5.171 -12.666 1.00 61.55 H new ATOM 0 HH12 ARG A 84 32.062 -3.562 -13.372 1.00 61.55 H new ATOM 0 HH21 ARG A 84 28.657 -2.718 -13.022 1.00 14.03 H new ATOM 0 HH22 ARG A 84 30.247 -2.180 -13.572 1.00 14.03 H new ATOM 1246 N THR A 85 29.820 -4.751 -8.987 1.00 32.13 N ATOM 1247 CA THR A 85 29.127 -3.563 -8.505 1.00 4.52 C ATOM 1248 C THR A 85 28.066 -3.105 -9.499 1.00 71.30 C ATOM 1249 O THR A 85 28.338 -2.959 -10.690 1.00 54.43 O ATOM 1250 CB THR A 85 30.108 -2.404 -8.249 1.00 22.45 C ATOM 1251 OG1 THR A 85 31.349 -2.656 -8.918 1.00 21.13 O ATOM 1252 CG2 THR A 85 30.357 -2.224 -6.759 1.00 73.11 C ATOM 0 H THR A 85 30.224 -4.655 -9.918 1.00 32.13 H new ATOM 0 HA THR A 85 28.648 -3.837 -7.565 1.00 4.52 H new ATOM 0 HB THR A 85 29.664 -1.489 -8.640 1.00 22.45 H new ATOM 0 HG1 THR A 85 31.967 -1.914 -8.752 1.00 21.13 H new ATOM 0 HG21 THR A 85 31.053 -1.400 -6.603 1.00 73.11 H new ATOM 0 HG22 THR A 85 29.415 -2.003 -6.257 1.00 73.11 H new ATOM 0 HG23 THR A 85 30.782 -3.140 -6.348 1.00 73.11 H new ATOM 1260 N GLY A 86 26.854 -2.879 -9.001 1.00 31.23 N ATOM 1261 CA GLY A 86 25.770 -2.439 -9.861 1.00 72.24 C ATOM 1262 C GLY A 86 25.256 -1.062 -9.487 1.00 32.31 C ATOM 1263 O GLY A 86 25.280 -0.678 -8.318 1.00 63.52 O ATOM 0 H GLY A 86 26.603 -2.992 -8.019 1.00 31.23 H new ATOM 0 HA2 GLY A 86 26.113 -2.427 -10.896 1.00 72.24 H new ATOM 0 HA3 GLY A 86 24.952 -3.157 -9.805 1.00 72.24 H new ATOM 1267 N THR A 87 24.793 -0.315 -10.484 1.00 42.01 N ATOM 1268 CA THR A 87 24.275 1.028 -10.256 1.00 2.02 C ATOM 1269 C THR A 87 22.873 1.182 -10.834 1.00 52.52 C ATOM 1270 O THR A 87 22.552 0.606 -11.874 1.00 30.13 O ATOM 1271 CB THR A 87 25.194 2.097 -10.875 1.00 35.03 C ATOM 1272 OG1 THR A 87 26.476 1.531 -11.170 1.00 72.05 O ATOM 1273 CG2 THR A 87 25.361 3.279 -9.933 1.00 74.43 C ATOM 0 H THR A 87 24.766 -0.618 -11.458 1.00 42.01 H new ATOM 0 HA THR A 87 24.238 1.173 -9.176 1.00 2.02 H new ATOM 0 HB THR A 87 24.732 2.450 -11.797 1.00 35.03 H new ATOM 0 HG1 THR A 87 27.054 2.217 -11.565 1.00 72.05 H new ATOM 0 HG21 THR A 87 26.014 4.021 -10.392 1.00 74.43 H new ATOM 0 HG22 THR A 87 24.387 3.726 -9.734 1.00 74.43 H new ATOM 0 HG23 THR A 87 25.801 2.938 -8.996 1.00 74.43 H new ATOM 1281 N LEU A 88 22.041 1.964 -10.155 1.00 11.31 N ATOM 1282 CA LEU A 88 20.672 2.195 -10.602 1.00 14.22 C ATOM 1283 C LEU A 88 20.625 3.279 -11.675 1.00 64.10 C ATOM 1284 O LEU A 88 21.396 4.238 -11.635 1.00 55.31 O ATOM 1285 CB LEU A 88 19.788 2.594 -9.419 1.00 25.02 C ATOM 1286 CG LEU A 88 18.306 2.809 -9.731 1.00 73.11 C ATOM 1287 CD1 LEU A 88 17.675 1.523 -10.241 1.00 21.24 C ATOM 1288 CD2 LEU A 88 17.571 3.314 -8.498 1.00 51.14 C ATOM 0 H LEU A 88 22.291 2.449 -9.293 1.00 11.31 H new ATOM 0 HA LEU A 88 20.295 1.267 -11.032 1.00 14.22 H new ATOM 0 HB2 LEU A 88 19.869 1.822 -8.654 1.00 25.02 H new ATOM 0 HB3 LEU A 88 20.185 3.513 -8.988 1.00 25.02 H new ATOM 0 HG LEU A 88 18.224 3.563 -10.514 1.00 73.11 H new ATOM 0 HD11 LEU A 88 16.621 1.696 -10.457 1.00 21.24 H new ATOM 0 HD12 LEU A 88 18.184 1.203 -11.150 1.00 21.24 H new ATOM 0 HD13 LEU A 88 17.767 0.747 -9.482 1.00 21.24 H new ATOM 0 HD21 LEU A 88 16.518 3.462 -8.737 1.00 51.14 H new ATOM 0 HD22 LEU A 88 17.662 2.582 -7.695 1.00 51.14 H new ATOM 0 HD23 LEU A 88 18.006 4.260 -8.177 1.00 51.14 H new ATOM 1300 N GLN A 89 19.715 3.121 -12.631 1.00 42.34 N ATOM 1301 CA GLN A 89 19.566 4.088 -13.712 1.00 22.31 C ATOM 1302 C GLN A 89 18.370 3.741 -14.592 1.00 71.23 C ATOM 1303 O GLN A 89 17.661 4.626 -15.071 1.00 33.43 O ATOM 1304 CB GLN A 89 20.840 4.136 -14.558 1.00 53.42 C ATOM 1305 CG GLN A 89 21.138 2.833 -15.284 1.00 74.22 C ATOM 1306 CD GLN A 89 22.498 2.836 -15.952 1.00 33.25 C ATOM 1307 OE1 GLN A 89 23.526 2.669 -15.295 1.00 11.12 O ATOM 1308 NE2 GLN A 89 22.512 3.026 -17.267 1.00 31.40 N ATOM 0 H GLN A 89 19.070 2.332 -12.679 1.00 42.34 H new ATOM 0 HA GLN A 89 19.394 5.069 -13.269 1.00 22.31 H new ATOM 0 HB2 GLN A 89 20.750 4.938 -15.291 1.00 53.42 H new ATOM 0 HB3 GLN A 89 21.684 4.385 -13.915 1.00 53.42 H new ATOM 0 HG2 GLN A 89 21.087 2.007 -14.575 1.00 74.22 H new ATOM 0 HG3 GLN A 89 20.369 2.656 -16.035 1.00 74.22 H new ATOM 0 HE21 GLN A 89 21.636 3.160 -17.772 1.00 31.40 H new ATOM 0 HE22 GLN A 89 23.399 3.037 -17.771 1.00 31.40 H new ATOM 1317 N LYS A 90 18.149 2.448 -14.799 1.00 74.24 N ATOM 1318 CA LYS A 90 17.037 1.983 -15.620 1.00 64.14 C ATOM 1319 C LYS A 90 15.722 2.062 -14.852 1.00 61.55 C ATOM 1320 O LYS A 90 15.658 1.706 -13.676 1.00 2.40 O ATOM 1321 CB LYS A 90 17.284 0.545 -16.081 1.00 33.31 C ATOM 1322 CG LYS A 90 16.278 0.055 -17.110 1.00 62.54 C ATOM 1323 CD LYS A 90 16.285 0.926 -18.354 1.00 23.32 C ATOM 1324 CE LYS A 90 16.520 0.101 -19.611 1.00 44.41 C ATOM 1325 NZ LYS A 90 17.969 -0.026 -19.928 1.00 33.42 N ATOM 0 H LYS A 90 18.726 1.702 -14.409 1.00 74.24 H new ATOM 0 HA LYS A 90 16.967 2.632 -16.493 1.00 64.14 H new ATOM 0 HB2 LYS A 90 18.287 0.475 -16.503 1.00 33.31 H new ATOM 0 HB3 LYS A 90 17.256 -0.116 -15.214 1.00 33.31 H new ATOM 0 HG2 LYS A 90 16.508 -0.974 -17.384 1.00 62.54 H new ATOM 0 HG3 LYS A 90 15.280 0.052 -16.672 1.00 62.54 H new ATOM 0 HD2 LYS A 90 15.334 1.453 -18.436 1.00 23.32 H new ATOM 0 HD3 LYS A 90 17.063 1.684 -18.264 1.00 23.32 H new ATOM 0 HE2 LYS A 90 16.089 -0.891 -19.480 1.00 44.41 H new ATOM 0 HE3 LYS A 90 16.004 0.565 -20.452 1.00 44.41 H new ATOM 0 HZ1 LYS A 90 18.087 -0.595 -20.791 1.00 33.42 H new ATOM 0 HZ2 LYS A 90 18.376 0.919 -20.078 1.00 33.42 H new ATOM 0 HZ3 LYS A 90 18.458 -0.491 -19.137 1.00 33.42 H new ATOM 1339 N ALA A 91 14.677 2.532 -15.523 1.00 13.24 N ATOM 1340 CA ALA A 91 13.364 2.656 -14.905 1.00 41.41 C ATOM 1341 C ALA A 91 12.255 2.302 -15.892 1.00 22.21 C ATOM 1342 O ALA A 91 12.109 2.944 -16.932 1.00 2.50 O ATOM 1343 CB ALA A 91 13.163 4.065 -14.367 1.00 22.15 C ATOM 0 H ALA A 91 14.714 2.834 -16.497 1.00 13.24 H new ATOM 0 HA ALA A 91 13.315 1.951 -14.075 1.00 41.41 H new ATOM 0 HB1 ALA A 91 12.177 4.142 -13.908 1.00 22.15 H new ATOM 0 HB2 ALA A 91 13.928 4.283 -13.622 1.00 22.15 H new ATOM 0 HB3 ALA A 91 13.239 4.781 -15.185 1.00 22.15 H new ATOM 1349 N LEU A 92 11.480 1.277 -15.559 1.00 1.41 N ATOM 1350 CA LEU A 92 10.384 0.836 -16.418 1.00 23.30 C ATOM 1351 C LEU A 92 9.240 0.262 -15.589 1.00 3.32 C ATOM 1352 O LEU A 92 8.469 -0.571 -16.068 1.00 55.42 O ATOM 1353 CB LEU A 92 10.882 -0.211 -17.416 1.00 70.21 C ATOM 1354 CG LEU A 92 11.146 -1.606 -16.849 1.00 30.44 C ATOM 1355 CD1 LEU A 92 10.225 -2.629 -17.495 1.00 53.41 C ATOM 1356 CD2 LEU A 92 12.603 -1.997 -17.052 1.00 61.44 C ATOM 0 H LEU A 92 11.589 0.735 -14.702 1.00 1.41 H new ATOM 0 HA LEU A 92 10.012 1.702 -16.965 1.00 23.30 H new ATOM 0 HB2 LEU A 92 10.148 -0.299 -18.217 1.00 70.21 H new ATOM 0 HB3 LEU A 92 11.804 0.156 -17.868 1.00 70.21 H new ATOM 0 HG LEU A 92 10.940 -1.586 -15.779 1.00 30.44 H new ATOM 0 HD11 LEU A 92 10.428 -3.616 -17.078 1.00 53.41 H new ATOM 0 HD12 LEU A 92 9.187 -2.359 -17.299 1.00 53.41 H new ATOM 0 HD13 LEU A 92 10.399 -2.647 -18.571 1.00 53.41 H new ATOM 0 HD21 LEU A 92 12.773 -2.993 -16.642 1.00 61.44 H new ATOM 0 HD22 LEU A 92 12.834 -1.998 -18.117 1.00 61.44 H new ATOM 0 HD23 LEU A 92 13.247 -1.280 -16.542 1.00 61.44 H new ATOM 1368 N PHE A 93 9.135 0.712 -14.343 1.00 1.20 N ATOM 1369 CA PHE A 93 8.084 0.244 -13.447 1.00 11.34 C ATOM 1370 C PHE A 93 8.149 0.968 -12.105 1.00 32.24 C ATOM 1371 O PHE A 93 9.222 1.367 -11.656 1.00 23.44 O ATOM 1372 CB PHE A 93 8.204 -1.266 -13.231 1.00 52.34 C ATOM 1373 CG PHE A 93 6.880 -1.959 -13.087 1.00 2.22 C ATOM 1374 CD1 PHE A 93 6.107 -2.242 -14.201 1.00 55.30 C ATOM 1375 CD2 PHE A 93 6.407 -2.328 -11.838 1.00 72.24 C ATOM 1376 CE1 PHE A 93 4.887 -2.880 -14.072 1.00 74.34 C ATOM 1377 CE2 PHE A 93 5.188 -2.965 -11.703 1.00 63.54 C ATOM 1378 CZ PHE A 93 4.427 -3.241 -12.821 1.00 63.00 C ATOM 0 H PHE A 93 9.765 1.400 -13.931 1.00 1.20 H new ATOM 0 HA PHE A 93 7.122 0.463 -13.911 1.00 11.34 H new ATOM 0 HB2 PHE A 93 8.744 -1.703 -14.071 1.00 52.34 H new ATOM 0 HB3 PHE A 93 8.801 -1.451 -12.338 1.00 52.34 H new ATOM 0 HD1 PHE A 93 6.461 -1.961 -15.182 1.00 55.30 H new ATOM 0 HD2 PHE A 93 6.998 -2.115 -10.959 1.00 72.24 H new ATOM 0 HE1 PHE A 93 4.294 -3.096 -14.949 1.00 74.34 H new ATOM 0 HE2 PHE A 93 4.831 -3.247 -10.723 1.00 63.54 H new ATOM 0 HZ PHE A 93 3.474 -3.738 -12.718 1.00 63.00 H new ATOM 1388 N ASN A 94 6.992 1.137 -11.474 1.00 44.12 N ATOM 1389 CA ASN A 94 6.917 1.814 -10.185 1.00 13.23 C ATOM 1390 C ASN A 94 7.688 1.043 -9.119 1.00 23.40 C ATOM 1391 O ASN A 94 7.232 0.007 -8.635 1.00 0.01 O ATOM 1392 CB ASN A 94 5.457 1.978 -9.756 1.00 73.22 C ATOM 1393 CG ASN A 94 5.161 3.372 -9.236 1.00 53.04 C ATOM 1394 OD1 ASN A 94 4.918 4.297 -10.010 1.00 43.30 O ATOM 1395 ND2 ASN A 94 5.179 3.526 -7.916 1.00 72.22 N ATOM 0 H ASN A 94 6.094 0.815 -11.834 1.00 44.12 H new ATOM 0 HA ASN A 94 7.370 2.799 -10.294 1.00 13.23 H new ATOM 0 HB2 ASN A 94 4.806 1.763 -10.603 1.00 73.22 H new ATOM 0 HB3 ASN A 94 5.224 1.247 -8.982 1.00 73.22 H new ATOM 0 HD21 ASN A 94 4.986 4.440 -7.507 1.00 72.22 H new ATOM 0 HD22 ASN A 94 5.386 2.730 -7.312 1.00 72.22 H new ATOM 1402 N VAL A 95 8.860 1.556 -8.757 1.00 22.43 N ATOM 1403 CA VAL A 95 9.695 0.916 -7.747 1.00 72.01 C ATOM 1404 C VAL A 95 10.911 1.775 -7.415 1.00 34.04 C ATOM 1405 O VAL A 95 11.566 2.312 -8.308 1.00 62.02 O ATOM 1406 CB VAL A 95 10.171 -0.472 -8.211 1.00 62.54 C ATOM 1407 CG1 VAL A 95 11.128 -0.344 -9.387 1.00 54.34 C ATOM 1408 CG2 VAL A 95 10.828 -1.222 -7.059 1.00 35.31 C ATOM 0 H VAL A 95 9.252 2.412 -9.148 1.00 22.43 H new ATOM 0 HA VAL A 95 9.081 0.801 -6.854 1.00 72.01 H new ATOM 0 HB VAL A 95 9.303 -1.043 -8.540 1.00 62.54 H new ATOM 0 HG11 VAL A 95 11.454 -1.336 -9.701 1.00 54.34 H new ATOM 0 HG12 VAL A 95 10.622 0.151 -10.216 1.00 54.34 H new ATOM 0 HG13 VAL A 95 11.995 0.245 -9.088 1.00 54.34 H new ATOM 0 HG21 VAL A 95 11.159 -2.202 -7.404 1.00 35.31 H new ATOM 0 HG22 VAL A 95 11.686 -0.655 -6.698 1.00 35.31 H new ATOM 0 HG23 VAL A 95 10.109 -1.346 -6.249 1.00 35.31 H new ATOM 1418 N GLU A 96 11.205 1.900 -6.124 1.00 73.32 N ATOM 1419 CA GLU A 96 12.343 2.694 -5.675 1.00 41.01 C ATOM 1420 C GLU A 96 13.561 1.808 -5.426 1.00 12.31 C ATOM 1421 O GLU A 96 13.432 0.670 -4.975 1.00 64.24 O ATOM 1422 CB GLU A 96 11.986 3.461 -4.400 1.00 60.30 C ATOM 1423 CG GLU A 96 11.690 2.562 -3.212 1.00 43.13 C ATOM 1424 CD GLU A 96 10.252 2.668 -2.744 1.00 63.41 C ATOM 1425 OE1 GLU A 96 9.342 2.494 -3.581 1.00 20.42 O ATOM 1426 OE2 GLU A 96 10.037 2.923 -1.541 1.00 72.45 O ATOM 0 H GLU A 96 10.672 1.463 -5.372 1.00 73.32 H new ATOM 0 HA GLU A 96 12.590 3.407 -6.462 1.00 41.01 H new ATOM 0 HB2 GLU A 96 12.810 4.127 -4.144 1.00 60.30 H new ATOM 0 HB3 GLU A 96 11.117 4.089 -4.595 1.00 60.30 H new ATOM 0 HG2 GLU A 96 11.905 1.528 -3.481 1.00 43.13 H new ATOM 0 HG3 GLU A 96 12.356 2.822 -2.389 1.00 43.13 H new ATOM 1433 N CYS A 97 14.741 2.339 -5.721 1.00 10.22 N ATOM 1434 CA CYS A 97 15.983 1.598 -5.531 1.00 24.14 C ATOM 1435 C CYS A 97 17.137 2.543 -5.212 1.00 42.11 C ATOM 1436 O CYS A 97 17.038 3.752 -5.421 1.00 1.21 O ATOM 1437 CB CYS A 97 16.310 0.780 -6.782 1.00 62.31 C ATOM 1438 SG CYS A 97 15.500 -0.850 -6.837 1.00 5.15 S ATOM 0 H CYS A 97 14.865 3.281 -6.093 1.00 10.22 H new ATOM 0 HA CYS A 97 15.847 0.921 -4.688 1.00 24.14 H new ATOM 0 HB2 CYS A 97 16.015 1.350 -7.663 1.00 62.31 H new ATOM 0 HB3 CYS A 97 17.389 0.640 -6.839 1.00 62.31 H new ATOM 1444 N GLN A 98 18.229 1.983 -4.704 1.00 31.43 N ATOM 1445 CA GLN A 98 19.403 2.777 -4.355 1.00 34.25 C ATOM 1446 C GLN A 98 20.216 3.121 -5.599 1.00 33.42 C ATOM 1447 O GLN A 98 20.391 2.288 -6.488 1.00 54.33 O ATOM 1448 CB GLN A 98 20.278 2.021 -3.354 1.00 24.00 C ATOM 1449 CG GLN A 98 20.221 2.591 -1.946 1.00 44.35 C ATOM 1450 CD GLN A 98 21.527 2.421 -1.196 1.00 53.34 C ATOM 1451 OE1 GLN A 98 22.538 3.035 -1.538 1.00 51.04 O ATOM 1452 NE2 GLN A 98 21.513 1.584 -0.165 1.00 62.34 N ATOM 0 H GLN A 98 18.327 0.984 -4.525 1.00 31.43 H new ATOM 0 HA GLN A 98 19.060 3.705 -3.898 1.00 34.25 H new ATOM 0 HB2 GLN A 98 19.966 0.977 -3.327 1.00 24.00 H new ATOM 0 HB3 GLN A 98 21.311 2.037 -3.702 1.00 24.00 H new ATOM 0 HG2 GLN A 98 19.970 3.651 -1.997 1.00 44.35 H new ATOM 0 HG3 GLN A 98 19.421 2.101 -1.391 1.00 44.35 H new ATOM 0 HE21 GLN A 98 20.653 1.096 0.084 1.00 62.34 H new ATOM 0 HE22 GLN A 98 22.362 1.430 0.378 1.00 62.34 H new ATOM 1461 N GLN A 99 20.709 4.355 -5.655 1.00 65.53 N ATOM 1462 CA GLN A 99 21.503 4.809 -6.789 1.00 15.53 C ATOM 1463 C GLN A 99 22.644 3.839 -7.080 1.00 41.43 C ATOM 1464 O GLN A 99 23.041 3.658 -8.232 1.00 61.15 O ATOM 1465 CB GLN A 99 22.063 6.207 -6.521 1.00 52.22 C ATOM 1466 CG GLN A 99 22.697 6.853 -7.741 1.00 34.40 C ATOM 1467 CD GLN A 99 21.706 7.070 -8.869 1.00 62.02 C ATOM 1468 OE1 GLN A 99 21.301 6.124 -9.544 1.00 30.14 O ATOM 1469 NE2 GLN A 99 21.310 8.320 -9.078 1.00 53.20 N ATOM 0 H GLN A 99 20.572 5.057 -4.928 1.00 65.53 H new ATOM 0 HA GLN A 99 20.852 4.847 -7.662 1.00 15.53 H new ATOM 0 HB2 GLN A 99 21.259 6.848 -6.158 1.00 52.22 H new ATOM 0 HB3 GLN A 99 22.806 6.145 -5.726 1.00 52.22 H new ATOM 0 HG2 GLN A 99 23.132 7.811 -7.455 1.00 34.40 H new ATOM 0 HG3 GLN A 99 23.514 6.225 -8.096 1.00 34.40 H new ATOM 0 HE21 GLN A 99 21.672 9.074 -8.494 1.00 53.20 H new ATOM 0 HE22 GLN A 99 20.644 8.526 -9.823 1.00 53.20 H new ATOM 1478 N THR A 100 23.168 3.219 -6.027 1.00 15.22 N ATOM 1479 CA THR A 100 24.265 2.269 -6.169 1.00 44.33 C ATOM 1480 C THR A 100 24.041 1.038 -5.298 1.00 1.32 C ATOM 1481 O THR A 100 23.434 1.122 -4.230 1.00 21.41 O ATOM 1482 CB THR A 100 25.615 2.909 -5.795 1.00 52.13 C ATOM 1483 OG1 THR A 100 25.570 4.322 -6.031 1.00 4.33 O ATOM 1484 CG2 THR A 100 26.748 2.291 -6.599 1.00 60.12 C ATOM 0 H THR A 100 22.851 3.357 -5.068 1.00 15.22 H new ATOM 0 HA THR A 100 24.291 1.971 -7.217 1.00 44.33 H new ATOM 0 HB THR A 100 25.799 2.724 -4.737 1.00 52.13 H new ATOM 0 HG1 THR A 100 26.431 4.722 -5.789 1.00 4.33 H new ATOM 0 HG21 THR A 100 27.691 2.759 -6.318 1.00 60.12 H new ATOM 0 HG22 THR A 100 26.798 1.222 -6.394 1.00 60.12 H new ATOM 0 HG23 THR A 100 26.568 2.449 -7.662 1.00 60.12 H new ATOM 1492 N VAL A 101 24.534 -0.107 -5.761 1.00 31.52 N ATOM 1493 CA VAL A 101 24.390 -1.356 -5.024 1.00 2.32 C ATOM 1494 C VAL A 101 25.573 -2.284 -5.276 1.00 73.24 C ATOM 1495 O VAL A 101 26.411 -2.017 -6.138 1.00 21.11 O ATOM 1496 CB VAL A 101 23.088 -2.086 -5.405 1.00 10.25 C ATOM 1497 CG1 VAL A 101 21.887 -1.177 -5.199 1.00 14.54 C ATOM 1498 CG2 VAL A 101 23.156 -2.577 -6.843 1.00 33.14 C ATOM 0 H VAL A 101 25.037 -0.195 -6.644 1.00 31.52 H new ATOM 0 HA VAL A 101 24.356 -1.096 -3.966 1.00 2.32 H new ATOM 0 HB VAL A 101 22.972 -2.953 -4.754 1.00 10.25 H new ATOM 0 HG11 VAL A 101 20.976 -1.710 -5.473 1.00 14.54 H new ATOM 0 HG12 VAL A 101 21.832 -0.879 -4.152 1.00 14.54 H new ATOM 0 HG13 VAL A 101 21.991 -0.290 -5.824 1.00 14.54 H new ATOM 0 HG21 VAL A 101 22.229 -3.091 -7.096 1.00 33.14 H new ATOM 0 HG22 VAL A 101 23.295 -1.727 -7.511 1.00 33.14 H new ATOM 0 HG23 VAL A 101 23.994 -3.266 -6.953 1.00 33.14 H new ATOM 1508 N SER A 102 25.635 -3.375 -4.518 1.00 34.21 N ATOM 1509 CA SER A 102 26.717 -4.341 -4.658 1.00 32.22 C ATOM 1510 C SER A 102 26.205 -5.648 -5.252 1.00 23.51 C ATOM 1511 O SER A 102 25.031 -5.990 -5.113 1.00 55.24 O ATOM 1512 CB SER A 102 27.371 -4.606 -3.301 1.00 45.25 C ATOM 1513 OG SER A 102 28.710 -5.046 -3.454 1.00 54.52 O ATOM 0 H SER A 102 24.949 -3.611 -3.801 1.00 34.21 H new ATOM 0 HA SER A 102 27.460 -3.921 -5.336 1.00 32.22 H new ATOM 0 HB2 SER A 102 27.351 -3.696 -2.701 1.00 45.25 H new ATOM 0 HB3 SER A 102 26.798 -5.358 -2.759 1.00 45.25 H new ATOM 0 HG SER A 102 29.105 -5.206 -2.571 1.00 54.52 H new ATOM 1519 N VAL A 103 27.096 -6.378 -5.916 1.00 11.41 N ATOM 1520 CA VAL A 103 26.736 -7.650 -6.532 1.00 42.10 C ATOM 1521 C VAL A 103 27.828 -8.692 -6.323 1.00 73.23 C ATOM 1522 O VAL A 103 29.018 -8.382 -6.392 1.00 72.41 O ATOM 1523 CB VAL A 103 26.477 -7.490 -8.042 1.00 74.32 C ATOM 1524 CG1 VAL A 103 25.164 -8.150 -8.433 1.00 20.11 C ATOM 1525 CG2 VAL A 103 26.480 -6.018 -8.429 1.00 2.33 C ATOM 0 H VAL A 103 28.072 -6.110 -6.041 1.00 11.41 H new ATOM 0 HA VAL A 103 25.820 -7.987 -6.047 1.00 42.10 H new ATOM 0 HB VAL A 103 27.280 -7.987 -8.585 1.00 74.32 H new ATOM 0 HG11 VAL A 103 24.999 -8.026 -9.503 1.00 20.11 H new ATOM 0 HG12 VAL A 103 25.205 -9.212 -8.193 1.00 20.11 H new ATOM 0 HG13 VAL A 103 24.345 -7.685 -7.884 1.00 20.11 H new ATOM 0 HG21 VAL A 103 26.296 -5.923 -9.499 1.00 2.33 H new ATOM 0 HG22 VAL A 103 25.698 -5.495 -7.878 1.00 2.33 H new ATOM 0 HG23 VAL A 103 27.449 -5.580 -8.187 1.00 2.33 H new ATOM 1535 N THR A 104 27.418 -9.929 -6.065 1.00 51.23 N ATOM 1536 CA THR A 104 28.360 -11.018 -5.844 1.00 63.41 C ATOM 1537 C THR A 104 27.871 -12.310 -6.490 1.00 34.32 C ATOM 1538 O THR A 104 26.679 -12.612 -6.471 1.00 41.23 O ATOM 1539 CB THR A 104 28.593 -11.264 -4.341 1.00 2.44 C ATOM 1540 OG1 THR A 104 28.198 -10.111 -3.589 1.00 3.30 O ATOM 1541 CG2 THR A 104 30.055 -11.580 -4.064 1.00 4.20 C ATOM 0 H THR A 104 26.437 -10.202 -6.004 1.00 51.23 H new ATOM 0 HA THR A 104 29.301 -10.719 -6.306 1.00 63.41 H new ATOM 0 HB THR A 104 27.989 -12.120 -4.038 1.00 2.44 H new ATOM 0 HG1 THR A 104 28.348 -10.276 -2.635 1.00 3.30 H new ATOM 0 HG21 THR A 104 30.195 -11.750 -2.996 1.00 4.20 H new ATOM 0 HG22 THR A 104 30.344 -12.475 -4.615 1.00 4.20 H new ATOM 0 HG23 THR A 104 30.675 -10.742 -4.382 1.00 4.20 H new ATOM 1549 N LYS A 105 28.801 -13.069 -7.062 1.00 73.11 N ATOM 1550 CA LYS A 105 28.465 -14.329 -7.712 1.00 30.34 C ATOM 1551 C LYS A 105 29.632 -15.308 -7.637 1.00 22.42 C ATOM 1552 O LYS A 105 30.784 -14.959 -7.898 1.00 0.50 O ATOM 1553 CB LYS A 105 28.082 -14.087 -9.174 1.00 74.43 C ATOM 1554 CG LYS A 105 27.300 -15.231 -9.796 1.00 22.44 C ATOM 1555 CD LYS A 105 28.209 -16.394 -10.159 1.00 12.21 C ATOM 1556 CE LYS A 105 28.043 -16.795 -11.618 1.00 70.53 C ATOM 1557 NZ LYS A 105 28.234 -18.258 -11.816 1.00 70.34 N ATOM 0 H LYS A 105 29.793 -12.832 -7.088 1.00 73.11 H new ATOM 0 HA LYS A 105 27.614 -14.764 -7.187 1.00 30.34 H new ATOM 0 HB2 LYS A 105 27.489 -13.175 -9.239 1.00 74.43 H new ATOM 0 HB3 LYS A 105 28.989 -13.920 -9.755 1.00 74.43 H new ATOM 0 HG2 LYS A 105 26.534 -15.570 -9.099 1.00 22.44 H new ATOM 0 HG3 LYS A 105 26.785 -14.878 -10.689 1.00 22.44 H new ATOM 0 HD2 LYS A 105 29.247 -16.119 -9.972 1.00 12.21 H new ATOM 0 HD3 LYS A 105 27.985 -17.247 -9.518 1.00 12.21 H new ATOM 0 HE2 LYS A 105 27.049 -16.509 -11.963 1.00 70.53 H new ATOM 0 HE3 LYS A 105 28.762 -16.249 -12.229 1.00 70.53 H new ATOM 0 HZ1 LYS A 105 28.646 -18.430 -12.755 1.00 70.34 H new ATOM 0 HZ2 LYS A 105 28.874 -18.627 -11.084 1.00 70.34 H new ATOM 0 HZ3 LYS A 105 27.315 -18.741 -11.747 1.00 70.34 H new ATOM 1571 N PRO A 106 29.332 -16.563 -7.273 1.00 43.25 N ATOM 1572 CA PRO A 106 30.342 -17.618 -7.157 1.00 61.41 C ATOM 1573 C PRO A 106 30.898 -18.041 -8.512 1.00 13.24 C ATOM 1574 O PRO A 106 30.164 -18.534 -9.370 1.00 31.51 O ATOM 1575 CB PRO A 106 29.577 -18.774 -6.510 1.00 44.54 C ATOM 1576 CG PRO A 106 28.152 -18.542 -6.883 1.00 21.32 C ATOM 1577 CD PRO A 106 27.981 -17.049 -6.947 1.00 40.22 C ATOM 0 HA PRO A 106 31.209 -17.289 -6.584 1.00 61.41 H new ATOM 0 HB2 PRO A 106 29.931 -19.737 -6.877 1.00 44.54 H new ATOM 0 HB3 PRO A 106 29.707 -18.778 -5.428 1.00 44.54 H new ATOM 0 HG2 PRO A 106 27.919 -19.003 -7.843 1.00 21.32 H new ATOM 0 HG3 PRO A 106 27.479 -18.981 -6.147 1.00 21.32 H new ATOM 0 HD2 PRO A 106 27.256 -16.760 -7.708 1.00 40.22 H new ATOM 0 HD3 PRO A 106 27.627 -16.644 -5.999 1.00 40.22 H new ATOM 1585 N CYS A 107 32.198 -17.844 -8.702 1.00 61.11 N ATOM 1586 CA CYS A 107 32.853 -18.205 -9.953 1.00 32.01 C ATOM 1587 C CYS A 107 34.289 -18.658 -9.706 1.00 54.14 C ATOM 1588 O CYS A 107 34.977 -18.130 -8.830 1.00 44.51 O ATOM 1589 CB CYS A 107 32.841 -17.018 -10.920 1.00 52.32 C ATOM 1590 SG CYS A 107 33.770 -17.304 -12.461 1.00 64.25 S ATOM 0 H CYS A 107 32.820 -17.436 -8.004 1.00 61.11 H new ATOM 0 HA CYS A 107 32.301 -19.034 -10.396 1.00 32.01 H new ATOM 0 HB2 CYS A 107 31.808 -16.778 -11.171 1.00 52.32 H new ATOM 0 HB3 CYS A 107 33.257 -16.147 -10.414 1.00 52.32 H new ATOM 1596 N THR A 108 34.737 -19.637 -10.484 1.00 45.31 N ATOM 1597 CA THR A 108 36.090 -20.163 -10.349 1.00 60.33 C ATOM 1598 C THR A 108 36.741 -20.361 -11.712 1.00 51.01 C ATOM 1599 O THR A 108 36.197 -21.046 -12.580 1.00 74.14 O ATOM 1600 CB THR A 108 36.099 -21.503 -9.589 1.00 3.12 C ATOM 1601 OG1 THR A 108 37.377 -22.134 -9.724 1.00 74.20 O ATOM 1602 CG2 THR A 108 35.013 -22.430 -10.112 1.00 43.53 C ATOM 0 H THR A 108 34.183 -20.083 -11.215 1.00 45.31 H new ATOM 0 HA THR A 108 36.659 -19.428 -9.781 1.00 60.33 H new ATOM 0 HB THR A 108 35.904 -21.299 -8.536 1.00 3.12 H new ATOM 0 HG1 THR A 108 37.375 -22.984 -9.237 1.00 74.20 H new ATOM 0 HG21 THR A 108 35.040 -23.369 -9.560 1.00 43.53 H new ATOM 0 HG22 THR A 108 34.039 -21.959 -9.981 1.00 43.53 H new ATOM 0 HG23 THR A 108 35.181 -22.627 -11.171 1.00 43.53 H new ATOM 1610 N THR A 109 37.911 -19.757 -11.897 1.00 33.14 N ATOM 1611 CA THR A 109 38.637 -19.867 -13.157 1.00 54.31 C ATOM 1612 C THR A 109 39.389 -21.189 -13.246 1.00 51.44 C ATOM 1613 O THR A 109 40.586 -21.254 -12.968 1.00 43.13 O ATOM 1614 CB THR A 109 39.637 -18.707 -13.331 1.00 0.05 C ATOM 1615 OG1 THR A 109 38.941 -17.457 -13.349 1.00 70.12 O ATOM 1616 CG2 THR A 109 40.433 -18.869 -14.618 1.00 50.32 C ATOM 0 H THR A 109 38.376 -19.187 -11.191 1.00 33.14 H new ATOM 0 HA THR A 109 37.895 -19.821 -13.954 1.00 54.31 H new ATOM 0 HB THR A 109 40.329 -18.724 -12.489 1.00 0.05 H new ATOM 0 HG1 THR A 109 39.364 -16.838 -12.718 1.00 70.12 H new ATOM 0 HG21 THR A 109 41.132 -18.039 -14.720 1.00 50.32 H new ATOM 0 HG22 THR A 109 40.986 -19.808 -14.588 1.00 50.32 H new ATOM 0 HG23 THR A 109 39.752 -18.876 -15.469 1.00 50.32 H new ATOM 1624 N LYS A 110 38.678 -22.244 -13.634 1.00 35.42 N ATOM 1625 CA LYS A 110 39.277 -23.566 -13.762 1.00 4.12 C ATOM 1626 C LYS A 110 39.744 -24.085 -12.406 1.00 61.42 C ATOM 1627 O LYS A 110 40.024 -23.306 -11.495 1.00 72.34 O ATOM 1628 CB LYS A 110 40.458 -23.522 -14.736 1.00 1.42 C ATOM 1629 CG LYS A 110 40.741 -24.855 -15.407 1.00 73.42 C ATOM 1630 CD LYS A 110 39.873 -25.053 -16.640 1.00 71.43 C ATOM 1631 CE LYS A 110 38.551 -25.715 -16.289 1.00 62.24 C ATOM 1632 NZ LYS A 110 37.924 -26.364 -17.474 1.00 32.23 N ATOM 0 H LYS A 110 37.685 -22.207 -13.865 1.00 35.42 H new ATOM 0 HA LYS A 110 38.518 -24.245 -14.150 1.00 4.12 H new ATOM 0 HB2 LYS A 110 40.258 -22.774 -15.503 1.00 1.42 H new ATOM 0 HB3 LYS A 110 41.350 -23.198 -14.199 1.00 1.42 H new ATOM 0 HG2 LYS A 110 41.793 -24.906 -15.689 1.00 73.42 H new ATOM 0 HG3 LYS A 110 40.561 -25.665 -14.700 1.00 73.42 H new ATOM 0 HD2 LYS A 110 39.684 -24.089 -17.112 1.00 71.43 H new ATOM 0 HD3 LYS A 110 40.406 -25.665 -17.367 1.00 71.43 H new ATOM 0 HE2 LYS A 110 38.713 -26.460 -15.510 1.00 62.24 H new ATOM 0 HE3 LYS A 110 37.869 -24.970 -15.880 1.00 62.24 H new ATOM 0 HZ1 LYS A 110 37.024 -26.804 -17.193 1.00 32.23 H new ATOM 0 HZ2 LYS A 110 37.746 -25.649 -18.208 1.00 32.23 H new ATOM 0 HZ3 LYS A 110 38.564 -27.093 -17.850 1.00 32.23 H new ATOM 1646 N VAL A 111 39.825 -25.406 -12.278 1.00 73.11 N ATOM 1647 CA VAL A 111 40.260 -26.029 -11.033 1.00 32.55 C ATOM 1648 C VAL A 111 41.586 -25.442 -10.559 1.00 11.34 C ATOM 1649 O VAL A 111 42.472 -25.153 -11.363 1.00 22.22 O ATOM 1650 CB VAL A 111 40.414 -27.553 -11.192 1.00 53.44 C ATOM 1651 CG1 VAL A 111 40.904 -28.178 -9.895 1.00 45.31 C ATOM 1652 CG2 VAL A 111 39.097 -28.177 -11.630 1.00 75.51 C ATOM 0 H VAL A 111 39.595 -26.065 -13.021 1.00 73.11 H new ATOM 0 HA VAL A 111 39.489 -25.825 -10.290 1.00 32.55 H new ATOM 0 HB VAL A 111 41.158 -27.748 -11.965 1.00 53.44 H new ATOM 0 HG11 VAL A 111 41.007 -29.255 -10.026 1.00 45.31 H new ATOM 0 HG12 VAL A 111 41.871 -27.751 -9.628 1.00 45.31 H new ATOM 0 HG13 VAL A 111 40.186 -27.976 -9.100 1.00 45.31 H new ATOM 0 HG21 VAL A 111 39.223 -29.254 -11.738 1.00 75.51 H new ATOM 0 HG22 VAL A 111 38.331 -27.974 -10.881 1.00 75.51 H new ATOM 0 HG23 VAL A 111 38.792 -27.750 -12.585 1.00 75.51 H new ATOM 1662 N LYS A 112 41.714 -25.269 -9.249 1.00 11.11 N ATOM 1663 CA LYS A 112 42.932 -24.719 -8.665 1.00 24.10 C ATOM 1664 C LYS A 112 44.161 -25.489 -9.142 1.00 43.54 C ATOM 1665 O LYS A 112 45.111 -24.903 -9.656 1.00 12.05 O ATOM 1666 CB LYS A 112 42.853 -24.759 -7.136 1.00 25.30 C ATOM 1667 CG LYS A 112 41.766 -23.869 -6.560 1.00 13.15 C ATOM 1668 CD LYS A 112 41.117 -24.501 -5.341 1.00 5.32 C ATOM 1669 CE LYS A 112 39.674 -24.045 -5.177 1.00 31.14 C ATOM 1670 NZ LYS A 112 38.711 -25.152 -5.428 1.00 62.12 N ATOM 0 H LYS A 112 40.989 -25.502 -8.570 1.00 11.11 H new ATOM 0 HA LYS A 112 43.025 -23.683 -8.991 1.00 24.10 H new ATOM 0 HB2 LYS A 112 42.677 -25.786 -6.816 1.00 25.30 H new ATOM 0 HB3 LYS A 112 43.815 -24.457 -6.723 1.00 25.30 H new ATOM 0 HG2 LYS A 112 42.192 -22.903 -6.287 1.00 13.15 H new ATOM 0 HG3 LYS A 112 41.008 -23.680 -7.320 1.00 13.15 H new ATOM 0 HD2 LYS A 112 41.148 -25.587 -5.433 1.00 5.32 H new ATOM 0 HD3 LYS A 112 41.686 -24.240 -4.448 1.00 5.32 H new ATOM 0 HE2 LYS A 112 39.528 -23.658 -4.169 1.00 31.14 H new ATOM 0 HE3 LYS A 112 39.472 -23.225 -5.866 1.00 31.14 H new ATOM 0 HZ1 LYS A 112 37.740 -24.801 -5.306 1.00 62.12 H new ATOM 0 HZ2 LYS A 112 38.833 -25.505 -6.399 1.00 62.12 H new ATOM 0 HZ3 LYS A 112 38.887 -25.925 -4.754 1.00 62.12 H new ATOM 1684 N ASN A 113 44.131 -26.806 -8.967 1.00 10.02 N ATOM 1685 CA ASN A 113 45.242 -27.657 -9.381 1.00 35.11 C ATOM 1686 C ASN A 113 44.768 -29.085 -9.634 1.00 20.01 C ATOM 1687 O ASN A 113 43.888 -29.592 -8.939 1.00 54.41 O ATOM 1688 CB ASN A 113 46.338 -27.652 -8.314 1.00 3.24 C ATOM 1689 CG ASN A 113 45.784 -27.831 -6.915 1.00 54.33 C ATOM 1690 OD1 ASN A 113 45.208 -26.906 -6.340 1.00 44.34 O ATOM 1691 ND2 ASN A 113 45.955 -29.025 -6.357 1.00 21.53 N ATOM 0 H ASN A 113 43.351 -27.307 -8.542 1.00 10.02 H new ATOM 0 HA ASN A 113 45.647 -27.258 -10.311 1.00 35.11 H new ATOM 0 HB2 ASN A 113 47.050 -28.450 -8.525 1.00 3.24 H new ATOM 0 HB3 ASN A 113 46.888 -26.712 -8.366 1.00 3.24 H new ATOM 0 HD21 ASN A 113 45.603 -29.203 -5.416 1.00 21.53 H new ATOM 0 HD22 ASN A 113 46.438 -29.763 -6.869 1.00 21.53 H new ATOM 1698 N LYS A 114 45.359 -29.729 -10.635 1.00 13.01 N ATOM 1699 CA LYS A 114 45.001 -31.098 -10.982 1.00 43.45 C ATOM 1700 C LYS A 114 45.585 -32.085 -9.975 1.00 62.15 C ATOM 1701 O LYS A 114 46.526 -31.777 -9.242 1.00 12.43 O ATOM 1702 CB LYS A 114 45.496 -31.437 -12.389 1.00 54.41 C ATOM 1703 CG LYS A 114 44.400 -31.415 -13.441 1.00 65.35 C ATOM 1704 CD LYS A 114 44.085 -29.998 -13.889 1.00 31.40 C ATOM 1705 CE LYS A 114 42.936 -29.970 -14.884 1.00 44.05 C ATOM 1706 NZ LYS A 114 41.653 -29.579 -14.237 1.00 14.12 N ATOM 0 H LYS A 114 46.089 -29.323 -11.221 1.00 13.01 H new ATOM 0 HA LYS A 114 43.914 -31.179 -10.957 1.00 43.45 H new ATOM 0 HB2 LYS A 114 46.274 -30.728 -12.672 1.00 54.41 H new ATOM 0 HB3 LYS A 114 45.955 -32.425 -12.375 1.00 54.41 H new ATOM 0 HG2 LYS A 114 44.708 -32.009 -14.301 1.00 65.35 H new ATOM 0 HG3 LYS A 114 43.499 -31.879 -13.039 1.00 65.35 H new ATOM 0 HD2 LYS A 114 43.831 -29.389 -13.021 1.00 31.40 H new ATOM 0 HD3 LYS A 114 44.971 -29.553 -14.342 1.00 31.40 H new ATOM 0 HE2 LYS A 114 43.167 -29.269 -15.686 1.00 44.05 H new ATOM 0 HE3 LYS A 114 42.827 -30.953 -15.341 1.00 44.05 H new ATOM 0 HZ1 LYS A 114 40.882 -29.637 -14.932 1.00 14.12 H new ATOM 0 HZ2 LYS A 114 41.454 -30.222 -13.444 1.00 14.12 H new ATOM 0 HZ3 LYS A 114 41.726 -28.604 -13.882 1.00 14.12 H new ATOM 1720 N PRO A 115 45.019 -33.300 -9.937 1.00 52.32 N ATOM 1721 CA PRO A 115 45.469 -34.356 -9.027 1.00 51.12 C ATOM 1722 C PRO A 115 46.842 -34.901 -9.404 1.00 3.42 C ATOM 1723 O PRO A 115 47.067 -35.308 -10.544 1.00 13.15 O ATOM 1724 CB PRO A 115 44.401 -35.440 -9.185 1.00 40.13 C ATOM 1725 CG PRO A 115 43.835 -35.220 -10.545 1.00 52.32 C ATOM 1726 CD PRO A 115 43.893 -33.736 -10.781 1.00 30.05 C ATOM 0 HA PRO A 115 45.579 -33.993 -8.005 1.00 51.12 H new ATOM 0 HB2 PRO A 115 44.832 -36.437 -9.092 1.00 40.13 H new ATOM 0 HB3 PRO A 115 43.632 -35.353 -8.417 1.00 40.13 H new ATOM 0 HG2 PRO A 115 44.410 -35.758 -11.299 1.00 52.32 H new ATOM 0 HG3 PRO A 115 42.810 -35.585 -10.605 1.00 52.32 H new ATOM 0 HD2 PRO A 115 44.065 -33.503 -11.832 1.00 30.05 H new ATOM 0 HD3 PRO A 115 42.962 -33.247 -10.494 1.00 30.05 H new ATOM 1734 N LYS A 116 47.757 -34.906 -8.441 1.00 51.44 N ATOM 1735 CA LYS A 116 49.108 -35.403 -8.672 1.00 64.24 C ATOM 1736 C LYS A 116 49.714 -35.949 -7.384 1.00 62.45 C ATOM 1737 O LYS A 116 49.627 -35.320 -6.329 1.00 14.52 O ATOM 1738 CB LYS A 116 49.994 -34.289 -9.233 1.00 5.23 C ATOM 1739 CG LYS A 116 49.460 -33.675 -10.515 1.00 32.33 C ATOM 1740 CD LYS A 116 50.374 -32.576 -11.030 1.00 14.14 C ATOM 1741 CE LYS A 116 49.597 -31.522 -11.805 1.00 1.52 C ATOM 1742 NZ LYS A 116 49.464 -30.254 -11.037 1.00 34.21 N ATOM 0 H LYS A 116 47.587 -34.571 -7.493 1.00 51.44 H new ATOM 0 HA LYS A 116 49.051 -36.214 -9.398 1.00 64.24 H new ATOM 0 HB2 LYS A 116 50.099 -33.506 -8.481 1.00 5.23 H new ATOM 0 HB3 LYS A 116 50.991 -34.688 -9.419 1.00 5.23 H new ATOM 0 HG2 LYS A 116 49.357 -34.450 -11.275 1.00 32.33 H new ATOM 0 HG3 LYS A 116 48.465 -33.268 -10.337 1.00 32.33 H new ATOM 0 HD2 LYS A 116 50.889 -32.107 -10.192 1.00 14.14 H new ATOM 0 HD3 LYS A 116 51.140 -33.010 -11.672 1.00 14.14 H new ATOM 0 HE2 LYS A 116 50.100 -31.322 -12.751 1.00 1.52 H new ATOM 0 HE3 LYS A 116 48.606 -31.906 -12.046 1.00 1.52 H new ATOM 0 HZ1 LYS A 116 48.929 -29.562 -11.599 1.00 34.21 H new ATOM 0 HZ2 LYS A 116 48.961 -30.439 -10.146 1.00 34.21 H new ATOM 0 HZ3 LYS A 116 50.409 -29.874 -10.829 1.00 34.21 H new ATOM 1756 N GLY A 117 50.331 -37.123 -7.475 1.00 63.52 N ATOM 1757 CA GLY A 117 50.944 -37.732 -6.309 1.00 62.44 C ATOM 1758 C GLY A 117 52.332 -37.189 -6.034 1.00 31.30 C ATOM 1759 O GLY A 117 52.592 -36.001 -6.221 1.00 75.21 O ATOM 0 H GLY A 117 50.417 -37.663 -8.336 1.00 63.52 H new ATOM 0 HA2 GLY A 117 50.311 -37.561 -5.438 1.00 62.44 H new ATOM 0 HA3 GLY A 117 51.001 -38.811 -6.454 1.00 62.44 H new ATOM 1763 N LYS A 118 53.230 -38.061 -5.586 1.00 2.53 N ATOM 1764 CA LYS A 118 54.600 -37.665 -5.284 1.00 40.14 C ATOM 1765 C LYS A 118 55.558 -38.838 -5.460 1.00 43.42 C ATOM 1766 O LYS A 118 55.481 -39.831 -4.734 1.00 15.10 O ATOM 1767 CB LYS A 118 54.693 -37.127 -3.854 1.00 13.35 C ATOM 1768 CG LYS A 118 54.564 -35.615 -3.764 1.00 41.24 C ATOM 1769 CD LYS A 118 53.313 -35.207 -3.005 1.00 15.33 C ATOM 1770 CE LYS A 118 53.426 -33.789 -2.464 1.00 23.32 C ATOM 1771 NZ LYS A 118 52.968 -33.697 -1.050 1.00 3.23 N ATOM 0 H LYS A 118 53.032 -39.048 -5.424 1.00 2.53 H new ATOM 0 HA LYS A 118 54.886 -36.878 -5.982 1.00 40.14 H new ATOM 0 HB2 LYS A 118 53.911 -37.587 -3.250 1.00 13.35 H new ATOM 0 HB3 LYS A 118 55.648 -37.428 -3.423 1.00 13.35 H new ATOM 0 HG2 LYS A 118 55.443 -35.203 -3.268 1.00 41.24 H new ATOM 0 HG3 LYS A 118 54.536 -35.191 -4.768 1.00 41.24 H new ATOM 0 HD2 LYS A 118 52.447 -35.278 -3.663 1.00 15.33 H new ATOM 0 HD3 LYS A 118 53.144 -35.900 -2.180 1.00 15.33 H new ATOM 0 HE2 LYS A 118 54.461 -33.455 -2.533 1.00 23.32 H new ATOM 0 HE3 LYS A 118 52.832 -33.116 -3.083 1.00 23.32 H new ATOM 0 HZ1 LYS A 118 53.061 -32.716 -0.718 1.00 3.23 H new ATOM 0 HZ2 LYS A 118 51.972 -33.991 -0.988 1.00 3.23 H new ATOM 0 HZ3 LYS A 118 53.551 -34.320 -0.455 1.00 3.23 H new ATOM 1785 N LYS A 119 56.461 -38.720 -6.427 1.00 72.23 N ATOM 1786 CA LYS A 119 57.437 -39.768 -6.696 1.00 62.52 C ATOM 1787 C LYS A 119 56.742 -41.089 -7.014 1.00 12.23 C ATOM 1788 O LYS A 119 57.271 -42.163 -6.732 1.00 11.40 O ATOM 1789 CB LYS A 119 58.369 -39.948 -5.496 1.00 44.42 C ATOM 1790 CG LYS A 119 59.641 -40.712 -5.821 1.00 71.40 C ATOM 1791 CD LYS A 119 60.731 -40.443 -4.797 1.00 62.03 C ATOM 1792 CE LYS A 119 61.475 -41.717 -4.429 1.00 63.35 C ATOM 1793 NZ LYS A 119 60.750 -42.505 -3.396 1.00 41.23 N ATOM 0 H LYS A 119 56.537 -37.907 -7.038 1.00 72.23 H new ATOM 0 HA LYS A 119 58.025 -39.467 -7.563 1.00 62.52 H new ATOM 0 HB2 LYS A 119 58.635 -38.967 -5.103 1.00 44.42 H new ATOM 0 HB3 LYS A 119 57.832 -40.473 -4.706 1.00 44.42 H new ATOM 0 HG2 LYS A 119 59.427 -41.780 -5.853 1.00 71.40 H new ATOM 0 HG3 LYS A 119 59.994 -40.428 -6.812 1.00 71.40 H new ATOM 0 HD2 LYS A 119 61.434 -39.712 -5.196 1.00 62.03 H new ATOM 0 HD3 LYS A 119 60.290 -40.006 -3.901 1.00 62.03 H new ATOM 0 HE2 LYS A 119 61.612 -42.328 -5.321 1.00 63.35 H new ATOM 0 HE3 LYS A 119 62.469 -41.463 -4.061 1.00 63.35 H new ATOM 0 HZ1 LYS A 119 61.290 -43.365 -3.173 1.00 41.23 H new ATOM 0 HZ2 LYS A 119 60.641 -41.932 -2.535 1.00 41.23 H new ATOM 0 HZ3 LYS A 119 59.811 -42.769 -3.757 1.00 41.23 H new ATOM 1807 N GLY A 120 55.556 -41.000 -7.607 1.00 51.22 N ATOM 1808 CA GLY A 120 54.809 -42.195 -7.955 1.00 35.25 C ATOM 1809 C GLY A 120 54.612 -43.122 -6.773 1.00 74.25 C ATOM 1810 O GLY A 120 55.104 -44.250 -6.770 1.00 34.03 O ATOM 0 H GLY A 120 55.099 -40.122 -7.853 1.00 51.22 H new ATOM 0 HA2 GLY A 120 53.836 -41.908 -8.353 1.00 35.25 H new ATOM 0 HA3 GLY A 120 55.333 -42.729 -8.748 1.00 35.25 H new ATOM 1814 N LYS A 121 53.893 -42.644 -5.762 1.00 41.52 N ATOM 1815 CA LYS A 121 53.632 -43.436 -4.566 1.00 5.12 C ATOM 1816 C LYS A 121 52.990 -44.772 -4.928 1.00 4.10 C ATOM 1817 O LYS A 121 52.126 -44.840 -5.801 1.00 1.13 O ATOM 1818 CB LYS A 121 52.724 -42.665 -3.605 1.00 3.21 C ATOM 1819 CG LYS A 121 53.476 -41.978 -2.480 1.00 73.44 C ATOM 1820 CD LYS A 121 52.560 -41.664 -1.308 1.00 4.21 C ATOM 1821 CE LYS A 121 51.696 -40.444 -1.588 1.00 12.01 C ATOM 1822 NZ LYS A 121 50.244 -40.771 -1.542 1.00 13.25 N ATOM 0 H LYS A 121 53.481 -41.711 -5.748 1.00 41.52 H new ATOM 0 HA LYS A 121 54.585 -43.632 -4.075 1.00 5.12 H new ATOM 0 HB2 LYS A 121 52.165 -41.917 -4.167 1.00 3.21 H new ATOM 0 HB3 LYS A 121 51.995 -43.353 -3.177 1.00 3.21 H new ATOM 0 HG2 LYS A 121 54.293 -42.617 -2.144 1.00 73.44 H new ATOM 0 HG3 LYS A 121 53.924 -41.056 -2.850 1.00 73.44 H new ATOM 0 HD2 LYS A 121 51.922 -42.524 -1.103 1.00 4.21 H new ATOM 0 HD3 LYS A 121 53.158 -41.490 -0.414 1.00 4.21 H new ATOM 0 HE2 LYS A 121 51.917 -39.667 -0.856 1.00 12.01 H new ATOM 0 HE3 LYS A 121 51.946 -40.039 -2.568 1.00 12.01 H new ATOM 0 HZ1 LYS A 121 49.689 -39.914 -1.738 1.00 13.25 H new ATOM 0 HZ2 LYS A 121 50.028 -41.494 -2.257 1.00 13.25 H new ATOM 0 HZ3 LYS A 121 50.000 -41.134 -0.598 1.00 13.25 H new ATOM 1836 N GLY A 122 53.416 -45.833 -4.249 1.00 21.11 N ATOM 1837 CA GLY A 122 52.871 -47.152 -4.514 1.00 72.41 C ATOM 1838 C GLY A 122 53.844 -48.261 -4.171 1.00 24.41 C ATOM 1839 O GLY A 122 54.755 -48.073 -3.363 1.00 53.14 O ATOM 0 H GLY A 122 54.129 -45.803 -3.520 1.00 21.11 H new ATOM 0 HA2 GLY A 122 51.955 -47.286 -3.938 1.00 72.41 H new ATOM 0 HA3 GLY A 122 52.599 -47.224 -5.567 1.00 72.41 H new ATOM 1843 N LYS A 123 53.654 -49.425 -4.784 1.00 43.45 N ATOM 1844 CA LYS A 123 54.521 -50.571 -4.539 1.00 22.53 C ATOM 1845 C LYS A 123 54.314 -51.646 -5.601 1.00 25.31 C ATOM 1846 O LYS A 123 53.533 -51.467 -6.534 1.00 10.44 O ATOM 1847 CB LYS A 123 54.252 -51.153 -3.150 1.00 60.23 C ATOM 1848 CG LYS A 123 52.861 -51.746 -2.998 1.00 71.22 C ATOM 1849 CD LYS A 123 52.917 -53.248 -2.772 1.00 11.12 C ATOM 1850 CE LYS A 123 53.462 -53.585 -1.393 1.00 75.53 C ATOM 1851 NZ LYS A 123 53.493 -55.053 -1.151 1.00 22.44 N ATOM 0 H LYS A 123 52.906 -49.599 -5.455 1.00 43.45 H new ATOM 0 HA LYS A 123 55.555 -50.230 -4.589 1.00 22.53 H new ATOM 0 HB2 LYS A 123 54.992 -51.925 -2.939 1.00 60.23 H new ATOM 0 HB3 LYS A 123 54.387 -50.369 -2.404 1.00 60.23 H new ATOM 0 HG2 LYS A 123 52.351 -51.270 -2.161 1.00 71.22 H new ATOM 0 HG3 LYS A 123 52.274 -51.533 -3.891 1.00 71.22 H new ATOM 0 HD2 LYS A 123 51.919 -53.671 -2.883 1.00 11.12 H new ATOM 0 HD3 LYS A 123 53.545 -53.708 -3.535 1.00 11.12 H new ATOM 0 HE2 LYS A 123 54.469 -53.179 -1.292 1.00 75.53 H new ATOM 0 HE3 LYS A 123 52.847 -53.105 -0.632 1.00 75.53 H new ATOM 0 HZ1 LYS A 123 53.871 -55.240 -0.200 1.00 22.44 H new ATOM 0 HZ2 LYS A 123 52.529 -55.437 -1.222 1.00 22.44 H new ATOM 0 HZ3 LYS A 123 54.101 -55.509 -1.861 1.00 22.44 H new ATOM 1865 N GLY A 124 55.021 -52.763 -5.452 1.00 52.34 N ATOM 1866 CA GLY A 124 54.899 -53.850 -6.404 1.00 14.51 C ATOM 1867 C GLY A 124 55.000 -55.213 -5.747 1.00 35.02 C ATOM 1868 O GLY A 124 55.291 -55.313 -4.556 1.00 3.45 O ATOM 0 H GLY A 124 55.676 -52.933 -4.689 1.00 52.34 H new ATOM 0 HA2 GLY A 124 53.943 -53.770 -6.921 1.00 14.51 H new ATOM 0 HA3 GLY A 124 55.679 -53.756 -7.160 1.00 14.51 H new ATOM 1872 N ASN A 125 54.757 -56.262 -6.524 1.00 43.00 N ATOM 1873 CA ASN A 125 54.821 -57.625 -6.008 1.00 34.13 C ATOM 1874 C ASN A 125 55.610 -58.528 -6.953 1.00 54.23 C ATOM 1875 O ASN A 125 56.226 -59.504 -6.525 1.00 53.24 O ATOM 1876 CB ASN A 125 53.410 -58.183 -5.811 1.00 11.04 C ATOM 1877 CG ASN A 125 53.419 -59.588 -5.239 1.00 55.03 C ATOM 1878 OD1 ASN A 125 53.125 -60.558 -5.938 1.00 73.10 O ATOM 1879 ND2 ASN A 125 53.757 -59.704 -3.959 1.00 53.00 N ATOM 1880 OXT ASN A 125 55.631 -58.277 -8.156 1.00 0.00 O ATOM 0 H ASN A 125 54.514 -56.196 -7.512 1.00 43.00 H new ATOM 0 HA ASN A 125 55.333 -57.600 -5.046 1.00 34.13 H new ATOM 0 HB2 ASN A 125 52.852 -57.526 -5.144 1.00 11.04 H new ATOM 0 HB3 ASN A 125 52.887 -58.186 -6.767 1.00 11.04 H new ATOM 0 HD21 ASN A 125 53.780 -60.624 -3.519 1.00 53.00 H new ATOM 0 HD22 ASN A 125 53.993 -58.873 -3.417 1.00 53.00 H new TER 1887 ASN A 125